SCHEMBL9970179

SCHEMBL9970179

C=CCCC1CCC(c2ccc(-c3ccc(C)c(F)c3F)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.37
SOAT1 P35610 3/20 0.37
ESR2 Q92731 6/20 0.37
FAAH O00519 1/20 0.33
CHRM2 P08172 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP2C9 P11712 4/20 0.33
ESR1 P03372 4/20 0.33
CYP3A4 P08684 3/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.30

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
SCHEMBL4549714 1.00 DGAT1 (0.37) DGAT1SOAT1ESR2FAAHCHRM2
SCHEMBL8933570 0.92 CYP3A4 (0.36) DGAT1SOAT1ESR2CYP2C9CYP3A4
SCHEMBL8959485 0.89 CYP3A4 (0.34) DGAT1SOAT1CYP2C9CYP3A4CYP2D6
SCHEMBL8935554 0.89 OPRL1 (0.35) DGAT1
SCHEMBL20906858 0.88 ESR2 (0.38) DGAT1SOAT1ESR2CYP2C9ESR1
SCHEMBL18134255 0.88 DGAT1 (0.34) DGAT1SOAT1ESR2FAAHCHRM2
SCHEMBL12379817 0.88 DGAT1 (0.34) DGAT1SOAT1ESR2FAAHCHRM2
SCHEMBL4549717 0.87 DGAT1 (0.36) DGAT1SOAT1ESR2FAAHCHRM2
SCHEMBL9970180 0.87 DGAT1 (0.36) DGAT1SOAT1ESR2FAAHCHRM2
SCHEMBL20111334 0.87 DGAT1 (0.34) DGAT1SOAT1ESR2FAAHCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021134883-A1 LIQUID CRYSTAL COMPOSITION OF NEGATIVE LIQUID CRYSTAL COMPOUND HAVING METHOXY BRIDGE BOND AND USE THEREOF 北京八亿时空液晶科技股份有限公司 2021-07-08 WO disclosed
WO-2021134885-A1 HIGH-CONTRAST NEGATIVE LIQUID CRYSTAL COMPOSITION CONTAINING PHENYLPROPYLTHIOPHENE AND APPLICATION THEREOF 北京八亿时空液晶科技股份有限公司 2021-07-08 WO disclosed
US-8202584-B2 Liquid-crystalline medium and liquid-crystal display MERCK PATENT GMBH (DE) 2012-06-19 US disclosed
US-8168081-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-01 US disclosed
US-20110101270-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-05-05 US disclosed
US-7854970-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-21 US disclosed
US-20100252777-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-10-07 US disclosed
US-7785677-B2 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 GMBH (DE) 2010-08-31 US disclosed
US-20100051864-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2010-03-04 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
US-7582337-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2009-09-01 US disclosed
US-20080197319-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2008-08-21 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 (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-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 DGAT1 4234/4885SOAT1 4129/4885ESR2 1692/4885

“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.