SCHEMBL2723977

SCHEMBL2723977

COc1ccc(C2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
GAA P10253 1/20 0.55
PDE4A P27815 2/20 0.55
PDE4B Q07343 2/20 0.55
PDE4C Q08493 2/20 0.55
PDE4D Q08499 2/20 0.55
AKR1C3 P42330 1/20 0.50
AKR1C1 Q04828 1/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EDNRA P25101 2/20 0.47
EDNRB P24530 1/20 0.47
HSD11B1 P28845 1/20 0.47
DRD2 P14416 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46

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
SCHEMBL31154321 0.90 AKR1C3 (0.65) NPC1RAB9AGAAPDE4APDE4B
SCHEMBL31154367 0.90 AKR1C3 (0.65) NPC1RAB9AGAAPDE4APDE4B
Bicarbonate SCHEMBL6207408 0.89 ALDH1A1 (0.52) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL19737310 0.86 PDE4A (0.55) NPC1RAB9AGAAPDE4APDE4B
SCHEMBL2724290 0.85 PKM (0.54) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL2724289 0.85 PKM (0.54) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL16708937 0.84 NAAA (0.51) NPC1RAB9AGAAPDE4APDE4B
SCHEMBL2725346 0.84 NAAA (0.51) NPC1RAB9AGAAPDE4APDE4B
SCHEMBL16699888 0.84 NAAA (0.51) NPC1RAB9AGAAPDE4APDE4B
SCHEMBL19513631 0.84 NPC1 (0.54) NPC1RAB9AGAAPDE4APDE4B

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
JP-1075445-A None JP disclosed
US-11193065-B2 Liquid crystal composition, method of producing the same, and retardation film constituted from the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-12-07 US disclosed
US-10858590-B2 Compound, liquid crystal composition, optical film, polarizing plate, and optical display SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-12-08 US disclosed
US-20200165519-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND RETARDATION PLATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-28 US disclosed
US-10336938-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-07-02 US disclosed
US-20180120624-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, OPTICAL FILM, POLARIZING PLATE, AND OPTICAL DISPLAY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-03 US disclosed
US-20180119015-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, OPTICAL FILM, POLARIZING PLATE, AND OPTICAL DISPLAY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-03 US disclosed
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
EP-2632269-A1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
WO-2012058187-A1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
EP-0681569-B1 SPIROCYCLOALKYL-SUBSTITUTED AZETIDINONES USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORP (US) 2001-03-21 EP disclosed
US-5698548-A Spirocycloalkyl-substituted azetidinones useful as hypocholesterolemic agents SCHERING CORPORATION (US) 1997-12-16 US disclosed
EP-0681569-A1 SPIROCYCLOALKYL-SUBSTITUTED AZETIDINONES USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORPORATION (US) 1995-11-15 EP disclosed
WO-1994017038-A1 SPIROCYCLOALKYL-SUBSTITUTED AZETIDINONES USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORPORATION (US) 1994-08-04 WO disclosed
JP-S6475445-A PRODUCTION OF 4'-HYDROXYBIPHENYL-4-CARBOXYLIC ACID MITSUI TOATSU CHEMICALS 1989-03-22 JP disclosed
US-4029595-A Novel liquid crystal compounds and electro-optic devices incorporating them RCA CORPORATION (US) 1977-06-14 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 (3 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-20180119015-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, OPTICAL FILM, POLARIZING PLATE, AND OPTICAL DISPLAY RCC1, MITF, FZD7 NPC1 1380/4885RAB9A 609/4885GAA 3972/4885
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION RCC1, CCDC47, ACIN1 NPC1 2687/4885RAB9A 1008/4885GAA 3239/4885
US-10858590-B2 Compound, liquid crystal composition, optical film, polarizing plate, and optical display RCC1, MITF, FZD7 NPC1 1380/4885RAB9A 609/4885GAA 3972/4885

“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.