SCHEMBL11277532

SCHEMBL11277532

CCOc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.49
NQO1 P15559 1/20 0.47
HRH3 Q9Y5N1 2/20 0.43
RAB9A P51151 2/20 0.42
GRM2 Q14416 1/20 0.41
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
NLRP3 Q96P20 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
XDH P47989 1/20 0.40
DGAT1 O75907 1/20 0.39

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
SCHEMBL12990842 0.95 ESR2 (0.53) ESR2NQO1HRH3RAB9AMAOA
SCHEMBL9512520 0.93 ESR2 (0.42) ESR2NQO1HRH3MAOAMAOB
SCHEMBL20118136 0.90 ESR2 (0.49) ESR2NQO1HRH3RAB9AMAOA
SCHEMBL9586183 0.88 NQO1 (0.61) NQO1HRH3RAB9AMAOAMAOB
SCHEMBL11277004 0.87 RAB9A (0.56) ESR2HRH3RAB9ANPC1
SCHEMBL11287806 0.87 RAB9A (0.49) ESR2HRH3RAB9AMAOAMAOB
SCHEMBL9508530 0.87 ESR2 (0.46) ESR2NQO1HRH3RAB9AMAOA
SCHEMBL5961794 0.87 ESR2 (0.46) ESR2NQO1HRH3RAB9AMAOA
SCHEMBL10017500 0.85 NQO1 (0.45) NQO1RAB9ANPC1CASP3SENP8
SCHEMBL6453900 0.85 RAB9A (0.42) ESR2NQO1RAB9AGRM2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7670502-B2 Liquid crystal composition for bistable liquid crystal devices MERCK PATENT GMBH (DE) 2010-03-02 US disclosed
US-20090143609-A1 LIQUID CRYSTAL COMPOSITIONS AND THEIR USE IN LIQUID CRYSTAL DEVICES IPS ALPHA SUPPORT CO., LTD. (JP) 2009-06-04 US disclosed
EP-0022183-B1 DERIVATIVES OF CYCLOHEXYLBIPHENYL, PROCESS FOR THEIR PREPARATION, DIELECTRICS CONTAINING THEM, AND ELECTRON OPTICAL INDICATING ELEMENTS MERCK PATENT GmbH (DE) 1982-06-23 EP disclosed
US-4330426-A Cyclohexylbiphenyls, their preparation and use in dielectrics and electrooptical display elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-05-18 US disclosed
EP-0022183-A2 Derivatives of cyclohexylbiphenyl, process for their preparation, dielectrics containing them, and electron optical indicating elements MERCK PATENT GmbH (DE) 1981-01-14 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 (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-20090143609-A1 LIQUID CRYSTAL COMPOSITIONS AND THEIR USE IN LIQUID CRYSTAL DEVICES GTF3C3, CCR3, OR10J3 ESR2 3816/4885NQO1 4855/4885HRH3 1977/4885

“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.