SCHEMBL684805

SCHEMBL684805

CC(C)(C)C(=O)CCNC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
KDM4E B2RXH2 4/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
DRD4 P21917 4/20 0.34
DRD2 P14416 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
EPHX1 P07099 1/20 0.32
CACNA1H O95180 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10172325 0.86 POLB (0.49) POLBKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL19198844 0.85 POLB (0.40) POLBKDM4EMAPTTP53ALDH1A1
SCHEMBL10172327 0.83 MEN1 (0.47) POLBKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL16316312 0.82 POLB (0.50) POLBKDM4EMAPTTP53ALDH1A1
SCHEMBL16185833 0.81 POLB (0.43) POLBKDM4EMAPTTP53ALDH1A1
SCHEMBL2438348 0.81 CYP2D6 (0.36) POLBKMT2A
SCHEMBL2861129 0.81 POLB (0.47) POLBKDM4EDRD4DRD2KMT2A
SCHEMBL13086908 0.81 KDM4E (0.48) KDM4EMAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL5544335 0.79 POLB (0.42) POLBKDM4EMAPTTP53ALDH1A1
SCHEMBL13876915 0.78 MEN1 (0.42) POLBKDM4EMAPTTP53ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-20220211675-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL EyePoint, Inc. 2022-07-07 US disclosed
US-20220062273-A1 CONJUGATES OF PATTERN RECOGNITION RECEPTOR AGONISTS Ascendis Pharma Oncology Division A/S (DK) 2022-03-03 US disclosed
US-20220054477-A1 INDUCTION OF SUSTAINED LOCAL INFLAMMATION Ascendis Pharma Oncology Division A/S (DK) 2022-02-24 US disclosed
US-20200361926-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2020-11-19 US disclosed
US-20200207730-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2020-07-02 US disclosed
US-20190231799-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2019-08-01 US disclosed
US-20140066458-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2014-03-06 US disclosed
US-8569348-B2 Compounds, compositions, and methods for preventing metastasis of cancer cells AERPIO THERAPEUTICS INC. (US) 2013-10-29 US disclosed
US-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EyePoint, Inc. 2012-05-24 US disclosed
US-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES EyePoint Pharmaceuticals, Inc. 2012-05-24 US disclosed
US-20120107332-A1 Beta-Glucuronide-Linker Drug Conjugates SEATTLE GENETICS, INC. (US) 2012-05-03 US disclosed
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2011-11-03 US disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 US disclosed
US-8039273-B2 β-glucuronide-linker drug conjugates SEATTLE GENETICS, INC. (US) 2011-10-18 US disclosed
US-20090263483-A1 NANOPARTICLE FORMULATIONS AND USES THEREOF ABRAXIS BIOSCIENCE, LLC 2009-10-22 US disclosed
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (18 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 POLB 1846/4885KDM4E 4502/4885MAPT 1793/4885
US-20140066458-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 POLB 3185/4885KDM4E 3689/4885MAPT 4517/4885
US-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 POLB 2724/4885KDM4E 4392/4885MAPT 4288/4885
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 POLB 3064/4885KDM4E 4284/4885MAPT 1677/4885
US-20200207730-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 POLB 3185/4885KDM4E 3689/4885MAPT 4517/4885
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH POLB 2977/4885KDM4E 3629/4885MAPT 3729/4885
US-20190231799-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES VEGFA, FLT4, AQP3 POLB 2865/4885KDM4E 4626/4885MAPT 1890/4885
US-20120107332-A1 Beta-Glucuronide-Linker Drug Conjugates UGT2B7, UGT1A1, UGT2B17 POLB 2303/4885KDM4E 3982/4885MAPT 1716/4885
US-20220211675-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL TIE1, TEK, TGFB2 POLB 4242/4885KDM4E 2788/4885MAPT 1935/4885
US-20090263483-A1 NANOPARTICLE FORMULATIONS AND USES THEREOF ABCB1, SLC47A1, ABCC1 POLB 4649/4885KDM4E 4658/4885MAPT 504/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH POLB 3304/4885KDM4E 3553/4885MAPT 4491/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH POLB 3304/4885KDM4E 3553/4885MAPT 4491/4885
US-20220054477-A1 INDUCTION OF SUSTAINED LOCAL INFLAMMATION GRPR, TLR3, TLR1 POLB 2760/4885KDM4E 4353/4885MAPT 1460/4885
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP POLB 4071/4885KDM4E 1517/4885MAPT 2032/4885
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 POLB 3185/4885KDM4E 3689/4885MAPT 4517/4885
US-20220062273-A1 CONJUGATES OF PATTERN RECOGNITION RECEPTOR AGONISTS LPAR1, TACR1, ADGRF1 POLB 3885/4885KDM4E 4760/4885MAPT 3800/4885
US-20200361926-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR POLB 2429/4885KDM4E 1897/4885MAPT 650/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH POLB 3209/4885KDM4E 4570/4885MAPT 3007/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.