SCHEMBL698217

SCHEMBL698217

Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3c(c2-c2c(P(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc4c2OCO4)OCO3)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.37
CYP19A1 P11511 2/20 0.36
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 4/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 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
SCHEMBL29362227 1.00 NQO2 (0.37) NQO2CYP19A1HSP90AA1HSP90AB1PTGS2
SCHEMBL29565955 1.00 NQO2 (0.37) NQO2CYP19A1HSP90AA1HSP90AB1PTGS2
Hydrochloric Acid SCHEMBL3108310 0.97 NQO2 (0.35) NQO2CYP19A1HSP90AA1HSP90AB1PTGS2
SCHEMBL6213387 0.87 ALDH1A1 (0.33) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL697978 0.87 HSP90AA1 (0.39) NQO2CYP19A1HSP90AA1HSP90AB1PTGS2
SCHEMBL14356056 0.86 HSP90AA1 (0.37) NQO2CYP19A1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL18934246 0.86
SCHEMBL1144361 0.85 NQO2 (0.33) NQO2CYP19A1
SCHEMBL21500141 0.85
P-Cymene SCHEMBL30477519 0.84 ALDH1A1 (0.34) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2KDM4E

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 247 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
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
CN-111217848-A Spiro-dihydrobenzothiole diphenol compound, synthesis method and application thereof 中国科学院上海有机化学研究所 2020-06-02 CN claimed
CN-111171068-A Preparation method of silicon spiro-compound 中国科学院上海有机化学研究所 2020-05-19 CN claimed
EP-3344605-B1 METHOD FOR THE PRODUCTION OF PRAZIQUANTEL AND PRECURSORS THEREOF MERCK PATENT GMBH (DE) 2020-05-13 EP claimed
US-10273213-B2 Method for the production of praziquantel and precursors thereof MERCK PATENT GMBH (DE) 2019-04-30 US claimed
US-20180251428-A1 METHOD FOR THE PRODUCTION OF PRAZIQUANTEL AND PRECURSORS THEREOF MERCK PATENT GMBH (DE) 2018-09-06 US claimed
EP-3344605-A1 METHOD FOR THE PRODUCTION OF PRAZIQUANTEL AND PRECURSORS THEREOF Merck Patent GmbH (DE) 2018-07-11 EP claimed
WO-2017036577-A1 METHOD FOR THE PRODUCTION OF PRAZIQUANTEL AND PRECURSORS THEREOF MERCK PATENT GMBH (DE) 2017-03-09 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
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
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-20020007094-A1 Method for producing 1-menthol TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-17 US disclosed
EP-1153908-A2 Method for producing 1-menthol Takasago International Corporation (JP) 2001-11-14 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 (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-20260125363-A1 PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, SLC26A3 NQO2 1159/4885CYP19A1 4400/4885HSP90AA1 3464/4885
US-10273213-B2 Method for the production of praziquantel and precursors thereof CYP51A1, POR, DHPS NQO2 355/4885CYP19A1 80/4885HSP90AA1 2241/4885
US-20200407311-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY AND DIASTEREOMERICALLY ENRICHED CYCLOBUTANE AMINES AND AMIDES TBCB, ADORA2B, ADRA2B NQO2 2322/4885CYP19A1 566/4885HSP90AA1 3721/4885
US-20180251428-A1 METHOD FOR THE PRODUCTION OF PRAZIQUANTEL AND PRECURSORS THEREOF CYP51A1, POR, DHPS NQO2 355/4885CYP19A1 80/4885HSP90AA1 2241/4885
US-20020007094-A1 Method for producing 1-menthol HRH4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PHOSPHO1 NQO2 2093/4885CYP19A1 1798/4885HSP90AA1 1562/4885
US-11053188-B2 Process for the preparation of enantiomerically and diastereomerically enriched cyclobutane amines and amides TBCB, ADORA2B, CCNB3 NQO2 2295/4885CYP19A1 494/4885HSP90AA1 3481/4885

“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.