SCHEMBL4549751

SCHEMBL4549751

C=CCCC1CCC(c2ccc(OC)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
OPRL1 P41146 6/20 0.33
USP30 Q70CQ3 1/20 0.33
HTR1A P08908 8/20 0.32
PDE5A O76074 1/20 0.32
HTR2A P28223 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
DRD2 P14416 3/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL14137856 0.96 ALDH1A1 (0.32) ALDH1A1PPARGPPARDPPARAOPRL1
SCHEMBL19985255 0.96 ALDH1A1 (0.32) ALDH1A1PPARGPPARDPPARAOPRL1
SCHEMBL14137831 0.95 FPR2 (0.33) ALDH1A1PPARGPPARDPPARAOPRL1
SCHEMBL8935616 0.92 ALOX5AP (0.35)
SCHEMBL8963305 0.89 ALOX5AP (0.33)
SCHEMBL3911928 0.88 OPRL1 (0.32) ALDH1A1OPRL1HTR2AHTR2B
SCHEMBL3911932 0.88 OPRL1 (0.32) ALDH1A1OPRL1HTR2AHTR2B
SCHEMBL2545568 0.87 USP30 (0.37) ALDH1A1OPRL1USP30HTR1APDE5A
SCHEMBL2545570 0.87 USP30 (0.37) ALDH1A1OPRL1USP30HTR1APDE5A
SCHEMBL14212680 0.86 HTR1A (0.38) ALDH1A1PPARGPPARDPPARAUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8043671-B2 Liquid-crystalline medium and liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-10-25 US disclosed
US-20110101270-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-05-05 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-20100108945-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-05-06 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

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 ALDH1A1 2765/4885PPARG 926/4885PPARD 446/4885

“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.