SCHEMBL13166298

SCHEMBL13166298

CNC1CCCCCCCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 1/20 0.53
SIGMAR1 Q99720 2/20 0.42
EPHX1 P07099 6/20 0.41
CYP3A4 P08684 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CA1 P00915 2/20 0.41
ADH1B P00325 2/20 0.41
ADH1C P00326 2/20 0.41
ADH1A P07327 2/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ADH4 P08319 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL3016934 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL13166304 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL13166302 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL8921740 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL1148684 1.00
SCHEMBL1485899 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL3036481 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL8918 1.00
SCHEMBL3035987 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL13166301 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239629-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THAT DEGRADE CDK2 Plexium, Inc. (US) 2023-12-14 WO disclosed
WO-2023061457-A1 ANTIBODY-DRUG CONJUGATE AND APPLICATION THEREOF 百奥泰生物制药股份有限公司 2023-04-20 WO disclosed
US-20230018702-A1 QUINAZOLINONES AS PARP14 INHIBITORS ABBVIE BIOTECHNOLOGY LTD (BM) 2023-01-19 US disclosed
US-20220389026-A1 TETRACYCLIC COMPOUND USED AS CDC7 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-12-08 US disclosed
WO-2022140246-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY HANGZHOU JIJING PHARMACEUTICAL TECHNOLOGY LIMITED (CN) 2022-06-30 WO disclosed
US-11358950-B2 SMAC mimetics used as IAP inhibitors and use thereof CHIA TAI TIANGQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-14 US disclosed
US-20220119368-A1 FLUOROVINYLBENZAMIDE COMPOUND AS PD-L1 IMMUNOMODULATOR ShanghaiFosunPharmaceuticalIndustrialDevelopmentCo.,Ltd (CN) 2022-04-21 US disclosed
US-20210380599-A1 QUINOLINO-PYRROLIDIN-2-ONE DERIVATIVE AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2021-12-09 US disclosed
US-20210371400-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-12-02 US disclosed
US-20210340141-A1 TLR8 AGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-11-04 US disclosed
US-9938577-B2 Conjugated polymeric particle and method of making same Life Technologies Corporation (US) 2018-04-10 US disclosed
EP-3091011-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2017-12-27 EP disclosed
EP-2939842-B1 IMAGE PROCESSING METHOD AND IMAGE PROCESSING APPARATUS CANON KK (JP) 2017-09-06 EP disclosed
EP-2938595-B1 METHOD FOR THE SYNTHESIS OF A HYDRAZINE THAT CAN BE USED IN THE TREATMENT OF THE PAPILLOMA VIRUS ANACONDA PHARMA (FR) 2017-06-14 EP disclosed
US-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 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 (9 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-20210371400-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF BIRC7, BIRC5, BIRC2 ALDH1A1 3894/4885HSD17B10 3742/4885SIGMAR1 4573/4885
US-20220119368-A1 FLUOROVINYLBENZAMIDE COMPOUND AS PD-L1 IMMUNOMODULATOR CD274, PDCD1LG2, PDCD1 ALDH1A1 65/4885HSD17B10 2854/4885SIGMAR1 4328/4885
US-20210380599-A1 QUINOLINO-PYRROLIDIN-2-ONE DERIVATIVE AND APPLICATION THEREOF ATM, CHEK2, CHEK1 ALDH1A1 2781/4885HSD17B10 3539/4885SIGMAR1 4819/4885
US-20230018702-A1 QUINAZOLINONES AS PARP14 INHIBITORS PARP14, PARP15, PARP11 ALDH1A1 2388/4885HSD17B10 2258/4885SIGMAR1 4526/4885
US-20220389026-A1 TETRACYCLIC COMPOUND USED AS CDC7 INHIBITOR CDC7, CDC5L, CDC16 ALDH1A1 3977/4885HSD17B10 1637/4885SIGMAR1 4037/4885
US-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof ARSA, STS, SULT2A1 ALDH1A1 249/4885HSD17B10 2278/4885SIGMAR1 2742/4885
US-11358950-B2 SMAC mimetics used as IAP inhibitors and use thereof BIRC7, BIRC5, BIRC2 ALDH1A1 3894/4885HSD17B10 3742/4885SIGMAR1 4573/4885
US-20210340141-A1 TLR8 AGONIST TLR8, TLR7, TLR1 ALDH1A1 3196/4885HSD17B10 2935/4885SIGMAR1 289/4885
US-20080312217-A1 Organic Compounds TRPA1, TRPV1, CHRM1 ALDH1A1 567/4885HSD17B10 3142/4885SIGMAR1 287/4885

“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.