SCHEMBL16707068

SCHEMBL16707068

Cc1cc(-c2c(C)cc(OF)cc2F)cc(F)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 6/20 0.31
▸ USP2 O75604 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ UPP1 Q16831 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 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
SCHEMBL16707071 0.82 TRPV4 (0.44) TRPV4
SCHEMBL16707070 0.80 — —
SCHEMBL16707074 0.80 — —
SCHEMBL13021579 0.75 TRPV4 (0.40) CYP1A2CYP3A4CYP2C19TRPV4ALDH1A1
SCHEMBL13863736 0.75 TRPV4 (0.54) CYP1A2CYP3A4CYP2C19TRPV4
SCHEMBL16707069 0.75 — —
SCHEMBL16707073 0.72 FFAR4 (0.36) CYP3A4
SCHEMBL20393224 0.72 LMNA (0.42) CYP1A2CYP3A4CYP2C19POLBKMT2A
SCHEMBL14075237 0.71 TRPV4 (0.45) TRPV4ALDH1A1POLBKMT2AKDM4E
SCHEMBL20257119 0.69 CYP4F2 (0.39) CYP3A4TRPV4KMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862887-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2018-01-09 — — US disclosed
US-20150129800-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-05-14 — — 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-20150129800-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY CCND2, CFD, CRY1 CYP1A2 2707/4885CYP3A4 2372/4885CYP2C19 2086/4885

“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.

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