SCHEMBL4492044

SCHEMBL4492044

CC(C)COCC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL15383220 0.83 TDP1 (0.36)
SCHEMBL12391585 0.82 ALDH1A1 (0.32) ALDH1A1MAPK1
SCHEMBL12339200 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3913465 0.78 MAPK1 (0.50) ALDH1A1MAPK1
SCHEMBL5217357 0.78
SCHEMBL23450964 0.78
SCHEMBL14417056 0.78
SCHEMBL16772325 0.78
SCHEMBL2016418 0.78 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1052630 0.78 MAPK1 (0.33) ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759458-B2 Indane-amines as PD-L1 antagonists CHEMOCENTRYX, INC. (US) 2023-09-19 US disclosed
WO-2023171326-A1 METHOD FOR PRODUCING ALKENE 株式会社クレハ 2023-09-14 WO disclosed
WO-2023171325-A1 METHOD FOR PRODUCING ALKENE 株式会社クレハ 2023-09-14 WO disclosed
US-11708326-B2 Immunomodulator compounds CHEMOCENTRYX, INC. (US) 2023-07-25 US disclosed
US-20230218638-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-07-13 US disclosed
US-11691985-B2 Macrocyclic immunomodulators CHEMOCENTRYX, INC. (US) 2023-07-04 US disclosed
US-20230192756-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF Sage Therapeutics, LLC 2023-06-22 US disclosed
US-11186531-B2 Production method for alkene KUREHA CORPORATION (JP) 2021-11-30 US disclosed
US-20210047252-A1 PRODUCTION METHOD FOR ALKENE KUREHA CORPORATION (JP) 2021-02-18 US disclosed
CN-111712480-A Process for producing chain olefin 株式会社吴羽 2020-09-25 CN disclosed
US-20110251379-A1 COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS SATORI PHARMACEUTICALS, INC. (US) 2011-10-13 US disclosed
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2010-12-02 US disclosed
US-20090324544-A1 SUBSTITUTED CYCLIC PYRROLIDINE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-12-31 US disclosed
US-20090318513-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. 2009-12-24 US disclosed
US-7601746-B2 Compounds exhibiting thrombopoietin receptor agonism SHIONOGI & CO., LTD. (JP) 2009-10-13 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20070043087-A1 Such as 3-{2,6-difluoro-4-[4,5-dihydro-6-(3,3-dimethylbutyl)naphtho[1,2-d]thiazol-2-ylcabamoyl)phenyl]-2-methylacrylic acid EDDINGPHARM (HONG KONG) COMPANY LIMITED (CN) 2007-02-22 US disclosed
EP-1655291-A1 COMPOUNDS HAVING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. (JP) 2006-05-10 EP disclosed
EP-0004335-A2 Prostacyclin analogs, process and intermediates for their preparation and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1979-10-03 EP disclosed
EP-0001270-A1 Analogues of prostacycline, methods for their preparation and their use in the treatment of circulatory diseases HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-04 EP 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 (12 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-11708326-B2 Immunomodulator compounds IL2, FCGRT, IFNG ALDH1A1 877/4885CYP2C19 1391/4885MAPK1 3821/4885
US-11691985-B2 Macrocyclic immunomodulators IL2, IL2RA, C3AR1 ALDH1A1 1925/4885CYP2C19 1742/4885MAPK1 3642/4885
US-20090318513-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM MPL, TEK, GHRHR ALDH1A1 2953/4885CYP2C19 556/4885MAPK1 836/4885
US-20090324544-A1 SUBSTITUTED CYCLIC PYRROLIDINE DERIVATIVES EIF2AK2, NSUN2, RNMT ALDH1A1 740/4885CYP2C19 894/4885MAPK1 3247/4885
US-20210047252-A1 PRODUCTION METHOD FOR ALKENE ALK, ALKBH3, ALKBH1 ALDH1A1 299/4885CYP2C19 805/4885MAPK1 3808/4885
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE ALDH1A1 1125/4885CYP2C19 1407/4885MAPK1 3525/4885
US-20070043087-A1 Such as 3-{2,6-difluoro-4-[4,5-dihydro-6-(3,3-dimethylbutyl)naphtho[1,2-d]thiazol-2-ylcabamoyl)phenyl]-2-methylacrylic acid DHFR, NAT1, ACR ALDH1A1 10/4885CYP2C19 42/4885MAPK1 2111/4885
US-20230192756-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R ALDH1A1 1160/4885CYP2C19 603/4885MAPK1 3034/4885
US-11186531-B2 Production method for alkene ALK, ALKBH3, ALKBH1 ALDH1A1 299/4885CYP2C19 805/4885MAPK1 3808/4885
US-20230218638-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF GRIN3B, GRIN2A, GRIN1 ALDH1A1 1946/4885CYP2C19 3224/4885MAPK1 3192/4885
US-11759458-B2 Indane-amines as PD-L1 antagonists CD274, PDCD1LG2, PDCD1 ALDH1A1 302/4885CYP2C19 1373/4885MAPK1 929/4885
US-20110251379-A1 COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS CLN6, NLN, ACHE ALDH1A1 642/4885CYP2C19 4321/4885MAPK1 4622/4885

“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.