SCHEMBL4549771

SCHEMBL4549771

Cc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)cc3)c(F)c2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 2/20 0.41
APP P05067 2/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ESR2 Q92731 1/20 0.40
FASN P49327 1/20 0.39
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C1 Q04828 1/20 0.36
PDE3B Q13370 3/20 0.34
PDE3A Q14432 3/20 0.34
KDM1A O60341 1/20 0.34
SLC6A3 Q01959 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33

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
SCHEMBL803146 0.92 ESR2 (0.41) CYP3A4CYP2C9APPCYP2D6CYP2C19
SCHEMBL802765 0.92 ESR2 (0.46) CYP3A4CYP2C9APPCYP2D6CYP2C19
SCHEMBL12658807 0.90 ESR2 (0.45) CYP3A4CYP2C9APPCYP2D6CYP2C19
SCHEMBL15445840 0.90 ESR2 (0.45) CYP3A4CYP2C9APPCYP2D6CYP2C19
SCHEMBL8958954 0.90 FASN (0.42) CYP3A4CYP2C9APPCYP2D6CYP2C19
SCHEMBL24661359 0.86 AKR1C3 (0.43) CYP3A4CYP2C9APPCYP2D6CYP2C19
SCHEMBL12075617 0.86 CYP3A4 (0.39) CYP3A4CYP2C9APPCYP2D6CYP2C19
SCHEMBL26167206 0.86 CYP3A4 (0.38) CYP3A4CYP2C9APPCYP2D6CYP2C19
SCHEMBL13615663 0.85 FASN (0.45) CYP3A4CYP2C9APPCYP2D6CYP2C19
SCHEMBL91805 0.85 FASN (0.45) CYP3A4CYP2C9APPCYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9005720-B2 Liquid-crystal display MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9005721-B2 Liquid-crystal display MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-8945420-B2 Liquid crystal display and liquid crystalline medium MERCK PATENT GMBH (DE) 2015-02-03 US disclosed
US-20140022473-A1 Liquid-crystal display MERCK PATENT GMBH (DE) 2014-01-23 US disclosed
US-20120307177-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
EP-2199362-B1 Liquid crystalline medium MERCK PATENT GMBH (DE) 2012-08-29 EP 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-8043671-B2 Liquid-crystalline medium and liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-10-25 US disclosed
EP-2041239-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2011-09-07 EP disclosed
EP-2182046-A1 Liquid-crystalline medium and liquid crystal display Merck Patent GmbH (DE) 2010-05-05 EP 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-7582337-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2009-09-01 US disclosed
US-20080315157-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) 2008-12-25 US disclosed
US-20080315157-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) 2008-12-25 US disclosed
US-7425355-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2008-09-16 US disclosed
US-20080197319-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2008-08-21 US disclosed
WO-2008009417-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2008-01-24 WO 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 (2 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-20120307177-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM CUTA, NEFM, FES CYP3A4 2439/4885CYP2C9 3493/4885APP 216/4885
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 CYP3A4 3869/4885CYP2C9 4557/4885APP 2124/4885

“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.