SCHEMBL1189657

SCHEMBL1189657

[CH2]c1cc(CCCC)cc(CCCC)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ PTGS2 P35354 4/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ GPR84 Q9NQS5 2/20 0.45
▸ SKP2 Q13309 1/20 0.41
▸ CA2 P00918 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ OPRM1 P35372 1/20 0.36

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
SCHEMBL16951356 0.95 HPGD (0.47) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL16962783 0.93 HPGD (0.45) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL1187981 0.93 PTGS2 (0.56) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL1187269 0.91 PTGS2 (0.57) PTGS2CYP3A4GPR84ALDH1A1HSD17B10
SCHEMBL1188426 0.91 PTGS2 (0.57) PTGS2CYP3A4GPR84ALDH1A1HSD17B10
SCHEMBL1189557 0.91 PTGS2 (0.57) PTGS2CYP3A4GPR84ALDH1A1HSD17B10
SCHEMBL1187303 0.91 PTGS2 (0.57) PTGS2CYP3A4GPR84ALDH1A1HSD17B10
SCHEMBL1187840 0.91 PTGS2 (0.57) PTGS2CYP3A4GPR84ALDH1A1HSD17B10
SCHEMBL1188981 0.91 PTGS2 (0.57) PTGS2CYP3A4GPR84ALDH1A1HSD17B10
SCHEMBL1187319 0.91 PTGS2 (0.57) PTGS2CYP3A4GPR84ALDH1A1HSD17B10

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
EP-0642302-B1 METHOD FOR ENHANCING PLANT GROWTH BY APPLYING A COMPOUND, AND SUITABLE COMPOUNDS TROPICANA PROD INC (US) 1998-08-12 — — EP claimed
US-8481736-B2 Liquid crystalline rylene tetracarboxylic acid derivatives and use thereof BASF SE (DE) 2013-07-09 — — US disclosed
US-20110042651-A1 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2011-02-24 — — US disclosed
EP-2008319-A2 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2008-12-31 — — EP disclosed
EP-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 — — EP disclosed
WO-2007116001-A2 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2007-10-18 — — WO disclosed
EP-1843407-A1 Liquid crystalline rylenetetracarboxylic acid derivatives and their use BASF AKTIENGESELLSCHAFT (DE) 2007-10-10 — — EP disclosed
CN-1294129-C Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2007-01-10 — — CN disclosed
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 — — US disclosed
US-7091352-B2 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2006-08-15 — — US disclosed
CN-1291192-A 5,6,7-trino-4,8-inter-m-phenylene PGI2 derivative and drugs containing the same TORAY INDUSTRIES (JP) 2001-04-11 — — CN disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 — — EP disclosed
EP-1044972-A1 5,6,7-TRINOR-4,8-INTER-m-PHENYLENE PGI2 DERIVATIVE AND DRUGS CONTAINING THE SAME TORAY INDUSTRIES, INC. (JP) 2000-10-18 — — EP disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 — — US disclosed
EP-0680627-B1 ELECTROSTATIC TONERS CONTAINING AMINODIACETIC ACID DERIVATIVES BASF AG (DE) 1997-10-29 — — EP disclosed
US-5663028-A POLYMER BINDERS AND CHARGE STABILIZER WITH COLORS BASF AKTIENGESELLSCHAFT (DE) 1997-09-02 — — US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 — — EP disclosed
EP-0680627-A1 ELECTROSTATIC TONERS CONTAINING AMINODIACETIC ACID DERIVATIVES. BASF AG (DE) 1995-11-08 — — EP disclosed
WO-1995005624-A1 ELECTROSTATIC TONERS CONTAINING AMINODIACETIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1995-02-23 — — WO disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 — — 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 (1 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-20110042651-A1 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF TPR, ROR1, CA3 HPGD 4301/4885NPC1 2029/4885MAPK1 2592/4885

“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.

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