SCHEMBL170548

SCHEMBL170548

COc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.53
DRD2 P14416 1/20 0.49
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM1A O60341 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ADRA1A P35348 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL803244 0.94 ESR2 (0.59) ESR2DRD2ALDH1A1SMN1; SMN2MEN1
SCHEMBL9511315 0.91 APP (0.45) ESR2DRD2ALDH1A1SMN1; SMN2MEN1
SCHEMBL12990367 0.89 ESR2 (0.53) ESR2DRD2ALDH1A1SMN1; SMN2MEN1
SCHEMBL11187396 0.86 ESR2 (0.68) ESR2KMT2ANPC1RAB9AGAA
SCHEMBL11187392 0.86 ESR2 (0.68) ESR2KMT2ANPC1RAB9AGAA
SCHEMBL1515026 0.86 DRD2 (0.59) DRD2ALDH1A1SMN1; SMN2MEN1MAPK1
SCHEMBL18891042 0.86 ESR2 (0.44) ESR2DRD2ALDH1A1SMN1; SMN2MEN1
SCHEMBL19681496 0.85 ALDH1A1 (0.52) ESR2DRD2ALDH1A1SMN1; SMN2MEN1
SCHEMBL13038173 0.84 DRD2 (0.49) ESR2DRD2ALDH1A1SMN1; SMN2MEN1
SCHEMBL9508933 0.84 APP (0.49) ESR2DRD2KDM1AMAOAMAOB

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 121 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287272-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DEVICE DIC CORPORATION (JP) 2023-09-14 US disclosed
US-11739270-B2 Polymerizable compound as well as liquid crystal composition and liquid crystal display device each including polymerizable compound DIC CORPORATION (JP) 2023-08-29 US disclosed
US-11718791-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2023-08-08 US disclosed
US-11667845-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-11345857-B2 Spontaneous alignment assistant for liquid crystal compositions DIC CORPORATION (JP) 2022-05-31 US disclosed
US-11326103-B2 Liquid crystal display device DIC CORPORATION (JP) 2022-05-10 US disclosed
US-20220128867-A1 SUBSTRATE AND LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2022-04-28 US disclosed
US-11312906-B2 Polymerizable monomer, liquid crystal composition using polymerizable monomer, and liquid crystal display device DIC CORPORATION (JP) 2022-04-26 US disclosed
US-20210223635-A1 METHOD FOR MANUFACTURING LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2021-07-22 US disclosed
US-20210171831-A1 ALIGNMENT AID, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2021-06-10 US disclosed
US-20090309066-A1 Mixture of polar compounds containing cyclohexane and benzene rings some of which are vinylene-linked, especially containing fluoroalkoxy groups; for electrooptical twisted nematic monitor applications MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
WO-2009129911-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH, (DE) 2009-10-29 WO disclosed
WO-2009115186-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2009-09-24 WO disclosed
US-20090168009-A1 with biphenylcyclohexane-based skeleton; nematic at room temperature, improved response; paraelectric SONY CORPORATION (JP) 2009-07-02 US disclosed
US-20090168009-A1 with biphenylcyclohexane-based skeleton; nematic at room temperature, improved response; paraelectric SONY CORPORATION (JP) 2009-07-02 US disclosed
WO-2009033564-A2 ELECTRO-OPTICAL LIGHT CONTROL ELEMENT, ELECTRO-OPTICAL DISPLAY AND CONTROL MEDIUM MERCK PATENT GMBH (DE) 2009-03-19 WO disclosed
WO-2008009417-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2008-01-24 WO 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 (5 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-11718791-B2 Polymerisable compounds and the use thereof in liquid-crystal displays VCL, ILK, LCP1 ESR2 4146/4885DRD2 948/4885ALDH1A1 4572/4885
US-11345857-B2 Spontaneous alignment assistant for liquid crystal compositions VAC14, VAPA, SFN ESR2 4335/4885DRD2 3821/4885ALDH1A1 4835/4885
US-11739270-B2 Polymerizable compound as well as liquid crystal composition and liquid crystal display device each including polymerizable compound OCIAD2, PKN2, SKP1 ESR2 3116/4885DRD2 271/4885ALDH1A1 3448/4885
US-11667845-B2 Liquid crystalline medium NEFM, CCNI, MYT1 ESR2 2503/4885DRD2 1891/4885ALDH1A1 1933/4885
US-20090309066-A1 Mixture of polar compounds containing cyclohexane and benzene rings some of which are vinylene-linked, especially containing fluoroalkoxy groups; for electrooptical twisted nematic monitor applications VIM, CDH1, LEF1 ESR2 1692/4885DRD2 2150/4885ALDH1A1 2765/4885

“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.