SCHEMBL1006239

SCHEMBL1006239

COCCCOc1cc(C=C(C(=O)O)C(C)C)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 3/20 0.44
POLB P06746 1/20 0.44
MCL1 Q07820 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44
TUBB1 Q9H4B7 5/20 0.43
TUBB4A P04350 3/20 0.43
TUBB P07437 3/20 0.43
TUBA3C P0DPH7 3/20 0.43
TUBA1B P68363 3/20 0.43
TUBA4A P68366 3/20 0.43

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
SCHEMBL811262 1.00 CYP2C9 (0.45) CYP2C9NPC1RAB9ANPSR1KDM4E
SCHEMBL1006237 1.00 CYP2C9 (0.45) CYP2C9NPC1RAB9ANPSR1KDM4E
SCHEMBL14114918 0.89 TUBB1 (0.45) CYP2C9NPC1RAB9ANPSR1KDM4E
SCHEMBL4187233 0.82 CYP2B6 (0.38) CYP2C9NPC1RAB9ANPSR1KDM4E
SCHEMBL221032 0.81 FDPS (0.46) CYP2C9NPC1RAB9ANPSR1KDM4E
SCHEMBL29521713 0.81 FDPS (0.46) CYP2C9NPC1RAB9ANPSR1KDM4E
SCHEMBL222288 0.81 FDPS (0.46) CYP2C9NPC1RAB9ANPSR1KDM4E
SCHEMBL221341 0.81 FDPS (0.46) CYP2C9NPC1RAB9ANPSR1KDM4E
SCHEMBL2848457 0.81 TUBB1 (0.49) CYP2C9NPC1RAB9ANPSR1KDM4E
SCHEMBL221117 0.81 TUBB1 (0.49) CYP2C9NPC1RAB9ANPSR1KDM4E

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275398-B1 APPLICATION OF AN IRIDIUM COMPLEX IN ASYMMETRIC CATALYTIC HYDROGENATION OF AN UNSATURATED CARBOXYLIC ACID ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2016-05-04 EP claimed
US-20110092732-A1 APPLICATION OF IRIDIUM COMPLEXES IN ASYMMETRIC CATALYTIC HYDROGENATION OF UNSATURATED CARBOXYLIC ACIDS Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2011-04-21 US claimed
EP-2275398-B1 APPLICATION OF AN IRIDIUM COMPLEX IN ASYMMETRIC CATALYTIC HYDROGENATION OF AN UNSATURATED CARBOXYLIC ACID ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2016-05-04 EP disclosed
US-20110092732-A1 APPLICATION OF IRIDIUM COMPLEXES IN ASYMMETRIC CATALYTIC HYDROGENATION OF UNSATURATED CARBOXYLIC ACIDS Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2011-04-21 US disclosed
US-7906669-B2 Metallocene-based phosphorus chiral phosphines SOLVIAS AG (CH) 2011-03-15 US disclosed
EP-1830958-B1 PROCESS FOR TRANSITION METAL-CATALYZED ASYMMETRIC HYDROGENATION OF ACRYLIC ACID DERIVATIVES, AND A NOVEL CATALYST SYSTEM FOR ASYMMETRIC TRANSITION METAL CATALYSIS DSM FINE CHEM AUSTRIA GMBH (AT) 2011-03-09 EP disclosed
EP-2275398-A1 APPLICATION OF THE IRIDIUM COMPLEX IN ASYMMETRIC CATALYTIC HYDROGENATION FOR UNSATURATED CARBOXYLIC ACID Zhejiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2011-01-19 EP disclosed
EP-1844061-B1 METALLOCENE-BASED PHOSPHORUS CHIRAL PHOSPHINES SOLVIAS AG (CH) 2010-08-04 EP disclosed
US-20090137824-A1 METALLOCENE-BASED PHOSPHORUS CHIRAL PHOSPHINES PHOENIX CHEMICALS LTD (GB) 2009-05-28 US disclosed
US-7473792-B2 Process for transition metal-catalyzed asymmetric hydrogenation of acrylic acid derivatives, and a novel catalyst system for asymmetric transition metal catalysis DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2009-01-06 US disclosed
US-20080242876-A1 Process For the Manufacture of Substituted Propionic Acids PHOENIX CHEMICALS LTD. (GB) 2008-10-02 US disclosed
US-20070293691-A1 Process for Transition Metal-Catalyzed Asymmetric Hydrogenation of Acrylic Acid Derivatives, and a Novel Catalyst System for Asymmetric Transition Metal Catalysis DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2007-12-20 US disclosed
EP-1844061-A1 METALLOCENE-BASED PHOSPHORUS CHIRAL PHOSPHINES Phoenix Chemicals Limited (GB) 2007-10-17 EP disclosed
EP-1838654-A1 PROCESS FOR THE MANUFACTURE OF SUBSTITUTED PROPIONIC ACIDS Phoenix Chemicals Limited (GB) 2007-10-03 EP disclosed
EP-1830958-A1 PROCESS FOR TRANSITION METAL-CATALYZED ASYMMETRIC HYDROGENATION OF ACRYLIC ACID DERIVATIVES, AND A NOVEL CATALYST SYSTEM FOR ASYMMETRIC TRANSITION METAL CATALYSIS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2007-09-12 EP disclosed
WO-2006075166-A1 METALLOCENE-BASED PHOSPHORUS CHIRAL PHOSPHINES PHOENIX CHEMICALS LTD. (GB) 2006-07-20 WO disclosed
WO-2006075177-A1 PROCESS FOR THE MANUFACTURE OF SUBSTITUTED PROPIONIC ACIDS PHOENIX CHEMICALS LTD. (GB) 2006-07-20 WO disclosed
WO-2006069617-A1 PROCESS FOR TRANSITION METAL-CATALYZED ASYMMETRIC HYDROGENATION OF ACRYLIC ACID DERIVATIVES, AND A NOVEL CATALYST SYSTEM FOR ASYMMETRIC TRANSITION METAL CATALYSIS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2006-07-06 WO 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 (4 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-20110092732-A1 APPLICATION OF IRIDIUM COMPLEXES IN ASYMMETRIC CATALYTIC HYDROGENATION OF UNSATURATED CARBOXYLIC ACIDS HDHD5, ELOVL5, FASN CYP2C9 879/4885NPC1 3272/4885RAB9A 3097/4885
US-20090137824-A1 METALLOCENE-BASED PHOSPHORUS CHIRAL PHOSPHINES POLL, ZNF207, ZC3HAV1L CYP2C9 2863/4885NPC1 4691/4885RAB9A 3601/4885
US-20070293691-A1 Process for Transition Metal-Catalyzed Asymmetric Hydrogenation of Acrylic Acid Derivatives, and a Novel Catalyst System for Asymmetric Transition Metal Catalysis ACSL6, ACSL3, RAD54L CYP2C9 1024/4885NPC1 4587/4885RAB9A 2439/4885
US-20080242876-A1 Process For the Manufacture of Substituted Propionic Acids AS3MT, PPA1, AGPS CYP2C9 928/4885NPC1 4882/4885RAB9A 1805/4885

“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.