SCHEMBL28341

SCHEMBL28341

COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccc3c(c2-c2c(P(c4cc(C(C)(C)C)c(OC)c(C(C)(C)C)c4)c4cc(C(C)(C)C)c(OC)c(C(C)(C)C)c4)ccc4c2OCO4)OCO3)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
NQO2 P16083 1/20 0.36
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SOST Q9BQB4 1/20 0.33
DYRK1A Q13627 1/20 0.32
GSK3B P49841 2/20 0.32
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATR Q13535 1/20 0.32
NQO1 P15559 1/20 0.32
POLB P06746 2/20 0.32
TARBP2 Q15633 1/20 0.32
EPHB4 P54760 1/20 0.31
OPRK1 P41145 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 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
SCHEMBL29424759 1.00 CYP19A1 (0.36) CYP19A1NQO2KDM4ELMNASOST
SCHEMBL29565868 1.00 CYP19A1 (0.36) CYP19A1NQO2KDM4ELMNASOST
SCHEMBL30393960 0.99 CYP19A1 (0.35) CYP19A1NQO2KDM4ELMNASOST
SCHEMBL25448348 0.95 CYP19A1 (0.33) CYP19A1NQO2KDM4ELMNASOST
Acetic Acid SCHEMBL29538014 0.92 TARBP2 (0.34) CYP19A1NQO2KDM4ELMNANQO1
SCHEMBL18810594 0.91 POLB (0.33) CYP19A1NQO2KDM4ELMNAACHE
SCHEMBL431846 0.90 KDM4E (0.32) CYP19A1NQO2KDM4ELMNASOST
SCHEMBL1144617 0.88 CYP19A1 (0.33) CYP19A1NQO2
SCHEMBL18187041 0.88
SCHEMBL5896988 0.83 NQO2 (0.38) CYP19A1NQO2KDM4ELMNASOST

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3710422-B1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY AND DIASTEREOMERICALLY ENRICHED CYCLOBUTANE AMINES AND AMIDES SYNGENTA CROP PROTECTION AG (CH) 2026-01-07 EP claimed
CN-114773175-B Preparation method of chiral tertiary alcohol benzo-fused bicyclo [ m.3.0] alkanone compound 上海毕得医药科技股份有限公司 2023-11-03 CN claimed
CN-114773175-A Preparation method of chiral tertiary alcohol benzo-fused bicyclo [ m.3.0] alkanone compound 上海毕得医药科技股份有限公司 2022-07-22 CN claimed
US-11053188-B2 Process for the preparation of enantiomerically and diastereomerically enriched cyclobutane amines and amides SYNGENTA PARTICIPATIONS AG (CH) 2021-07-06 US claimed
US-20200407311-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY AND DIASTEREOMERICALLY ENRICHED CYCLOBUTANE AMINES AND AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2020-12-31 US claimed
EP-2933246-B1 VERSATILE AND FUNCTIONALISED INTERMEDIATES FOR THE SYNTHESIS OF VITAMIN D AND NOVEL VITAMIN D DERIVATIVES ENDOTHERM GMBH (DE) 2020-01-08 EP claimed
US-20150344421-A1 Versatile and Functionalised Intermediates for the Synthesis of Vitamin D and Novel Vitamin D Derivatives ENDOTHERM GMBH (DE) 2015-12-03 US claimed
WO-2015178847-A1 PROCESS FOR THE PREPARATION OF CHIRAL AMINES BY ASYMMETRIC HYDROGENATION OF PROCHIRAL OXIMES SP PROCESS DEVELOPMENT AB (SE) 2015-11-26 WO claimed
WO-2015178846-A1 PROCESS FOR THE PREPARATION OF CHIRAL AMINES FROM PROCHIRAL KETONES SP PROCESS DEVELOPMENT AB (SE) 2015-11-26 WO claimed
EP-2933246-A1 VERSATILE AND FUNCTIONALISED INTERMEDIATES FOR THE SYNTHESIS OF VITAMIN D AND NOVEL VITAMIN D DERIVATIVES Endotherm GmbH (DE) 2015-10-21 EP claimed
EP-2095875-B1 Homogeneous asymmetric hydrogenation catalyst TAKASAGO PERFUMERY CO LTD (JP) 2014-10-01 EP claimed
EP-2392400-B1 Homogeneous asymmetric hydrogenation method TAKASAGO PERFUMERY CO LTD (JP) 2014-05-07 EP claimed
US-7902110-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US claimed
EP-1650207-B1 Process for producing optically active 3-quinuclidinols TAKASAGO PERFUMERY CO LTD (JP) 2007-06-27 EP claimed
US-20260125363-A1 PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2026-05-07 US disclosed
EP-3792241-B1 METHOD FOR CONVERTING HYDROXYL GROUP OF ALCOHOL TAKASAGO PERFUMERY CO LTD (JP) 2026-04-22 EP disclosed
US-12577251-B2 Modulators of the sigma-2 receptor and their method of use Temple University—Of the Commonwealth System of Higher Education (US) 2026-03-17 US disclosed
US-20040063999-A1 Process for the production of optically active amino alcohols TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-04-01 US disclosed
EP-1398310-A1 Process for the production of optically active amino alcohols Takasago International Corporation (JP) 2004-03-17 EP disclosed
US-5872273-A LIGANDS FOR FORMING HYDROGENATION CATALYST COMPLEXES TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-02-16 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 (6 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-20150344421-A1 Versatile and Functionalised Intermediates for the Synthesis of Vitamin D and Novel Vitamin D Derivatives VDR, CYP24A1, CYP2R1 CYP19A1 97/4885NQO2 1071/4885KDM4E 3193/4885
US-20260125363-A1 PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, SLC26A3 CYP19A1 4400/4885NQO2 1159/4885KDM4E 1638/4885
US-20200407311-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY AND DIASTEREOMERICALLY ENRICHED CYCLOBUTANE AMINES AND AMIDES TBCB, ADORA2B, ADRA2B CYP19A1 566/4885NQO2 2322/4885KDM4E 1392/4885
US-11053188-B2 Process for the preparation of enantiomerically and diastereomerically enriched cyclobutane amines and amides TBCB, ADORA2B, CCNB3 CYP19A1 494/4885NQO2 2295/4885KDM4E 1866/4885
US-12577251-B2 Modulators of the sigma-2 receptor and their method of use SIGMAR1, CHRNA6, NR3C2 CYP19A1 1673/4885NQO2 2305/4885KDM4E 3458/4885
US-20040063999-A1 Process for the production of optically active amino alcohols ADH1C, ADH1A, ADH5 CYP19A1 1901/4885NQO2 1549/4885KDM4E 1324/4885

“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.