SCHEMBL3967922

SCHEMBL3967922

CCCCc1cc(C=O)c(O)c(CCCC)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CDK1 P06493 1/20 0.44
PTGS2 P35354 5/20 0.42
CYP3A4 P08684 1/20 0.42
GPR84 Q9NQS5 3/20 0.41
ERN1 O75460 1/20 0.40
EGFR P00533 1/20 0.40
TYR P14679 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ALOX5 P09917 3/20 0.37

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
SCHEMBL5673519 0.94 PTGS2 (0.50) CDK1PTGS2CYP3A4GPR84EGFR
SCHEMBL6141791 0.90 ERN1 (0.50) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL7251486 0.89 PTGS2 (0.49) CDK1PTGS2CYP3A4GPR84EGFR
SCHEMBL28528307 0.89 NPC1 (0.41) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL3965795 0.86 ERN1 (0.42) CDK1ERN1LMNAMAPTALOX5
SCHEMBL11954892 0.85 CDK1 (0.45) CDK1ERN1LMNAMAPT
SCHEMBL13190731 0.85 ALOX5 (0.49) MAPK1PTGS2CYP3A4GPR84ERN1
SCHEMBL22763957 0.83 HTT (0.49) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL8432218 0.83 PTGS2 (0.56) CDK1PTGS2CYP3A4GPR84ERN1
SCHEMBL27621298 0.83 PTGS2 (0.56) CDK1PTGS2CYP3A4GPR84ERN1

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
CN-101514212-B Synthetic method of pyridine-2''amino-2'-hydroxybenzene methanol phenylcarbinol boric acid ester compound UNIV LIAONING 2011-11-09 CN claimed
CN-101514212-A Pyridine-2''amino-2'-hydroxybenzene methanol phenylcarbinol boric acid ester compound and synthetic method thereof UNIV LIAONING (CN) 2009-08-26 CN claimed
CN-1200017-C Nickel compound catalyst system for polymerization of norbornene and its prepn CHINESE ACAD INST CHEMISTRY (CN) 2005-05-04 CN claimed
CN-1139606-C Norbornene catalytic system and its preparation method and application 中国科学院化学研究所 2004-02-25 CN claimed
CN-1394685-A Norbornene catalytic system and its preparation method and application CHINESE ACAD INST CHEMISTRY (CN) 2003-02-05 CN claimed
CN-1388140-A Nickel compound catalyst system for polymerization of norbornene and its prepn CHINESE ACAD INST CHEMISTRY (CN) 2003-01-01 CN claimed
EP-3707242-B1 COMPOUNDS FOR USE IN THE ELIMINATION OF PLURIPOTENT STEM CELLS UNIV KOELN (DE) 2022-05-18 EP disclosed
US-20200339502-A1 COMPOUNDS FOR USE IN THE ELIMINATION OF PLURIPOTENT STEM CELLS UNIVERSITÄT ZU KÖLN (DE) 2020-10-29 US disclosed
EP-3480296-A1 DIAMINES FOR USE IN THE ELIMINATION OF PLURIPOTENT STEM CELLS Universität zu Köln (DE) 2019-05-08 EP disclosed
CN-104211682-B Pyridine compounds and their and application thereof 沈阳药科大学 2017-06-06 CN disclosed
EP-1992630-B1 Covalently fixed non-metallocenes, method for the production thereof and their use for polymerizing olefins TICONA GMBH (DE) 2012-10-31 EP disclosed
CN-101514212-B Synthetic method of pyridine-2''amino-2'-hydroxybenzene methanol phenylcarbinol boric acid ester compound UNIV LIAONING 2011-11-09 CN disclosed
US-8007976-B2 Electrostatic image developing toner, toner kit and image forming apparatus RICOH COMPANY. LTD. (JP) 2011-08-30 US disclosed
CN-1139606-C Norbornene catalytic system and its preparation method and application 中国科学院化学研究所 2004-02-25 CN disclosed
US-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins EQUISTAR CHEMICALS, LP 2004-02-05 US disclosed
WO-2003072584-A1 COVALENTLY FIXED NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE FOR POLYMERIZING OLEFINS CELANESE VENTURES GMBH (DE) 2003-09-04 WO disclosed
CN-1394685-A Norbornene catalytic system and its preparation method and application CHINESE ACAD INST CHEMISTRY (CN) 2003-02-05 CN disclosed
CN-1388140-A Nickel compound catalyst system for polymerization of norbornene and its prepn CHINESE ACAD INST CHEMISTRY (CN) 2003-01-01 CN disclosed
EP-0952997-A1 POLYMERIZATION OF OLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-11-03 EP disclosed
WO-1998030609-A1 POLYMERIZATION OF OLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-07-16 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 (2 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-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins SOAT2, NOTUM, SOAT1 NPC1 923/4885HPGD 886/4885MAPK1 3677/4885
US-20200339502-A1 COMPOUNDS FOR USE IN THE ELIMINATION OF PLURIPOTENT STEM CELLS ALPG, RARB, RARG NPC1 379/4885HPGD 2886/4885MAPK1 2571/4885

“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.