SCHEMBL4549767

SCHEMBL4549767

COc1ccc(OF)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA4 P22748 1/20 0.39
ACHE P22303 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
NFE2L2 Q16236 2/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
NQO1 P15559 1/20 0.34
HTR1A P08908 1/20 0.34
GRM8 O00222 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL15682035 0.89 CA2 (0.47) TUBB1CA2CA12CA1CA7
SCHEMBL14015536 0.79 GRM8 (0.43) TUBB1CA2CA12CA1CA7
SCHEMBL802723 0.79 HTR2A (0.44) TUBB1CA2CA12CA1CA7
SCHEMBL15043589 0.77 TUBB1 (0.32) TUBB1MRGPRX4
SCHEMBL3769995 0.77 TUBB1 (0.44) TUBB1CA2CA12CA1CA7
SCHEMBL25168763 0.75 TUBB1 (0.37) TUBB1CA2CA12CA1CA7
SCHEMBL17993346 0.75 TUBB1 (0.37) TUBB1CA2CA12CA1CA7
SCHEMBL1429875 0.75 IDO1 (0.48) TUBB1CA2CA12CA1CA7
SCHEMBL714254 0.75 MAOB (0.46) TUBB1CA2CA1MAPK1HTT
SCHEMBL1662632 0.75 NQO2 (0.41) TUBB1CA2CA12CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8945420-B2 Liquid crystal display and liquid crystalline medium MERCK PATENT GMBH (DE) 2015-02-03 US disclosed
US-20120307177-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US 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
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 (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 TUBB1 689/4885CA2 4005/4885CA12 2687/4885
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 TUBB1 45/4885CA2 2682/4885CA12 3112/4885

“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.