SCHEMBL16707071

SCHEMBL16707071

N#Cc1c(F)cc(-c2c(F)cc(OF)cc2F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.44
▸ IDO1 P14902 2/20 0.35
▸ EGLN2 Q96KS0 2/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 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
SCHEMBL13863736 0.88 TRPV4 (0.54) TRPV4EGLN2
SCHEMBL20257118 0.83 TRPV4 (0.39) TRPV4IDO1EGLN2PDE4APDE4B
SCHEMBL16707068 0.82 CYP1A2 (0.33) TRPV4
SCHEMBL20257119 0.80 CYP4F2 (0.39) TRPV4PDE4APDE4BPDE4C
SCHEMBL30933437 0.78 ALDH1A1 (0.40) TRPV4EGLN2
SCHEMBL13863899 0.78 CES2 (0.34) ESR1ESR2
SCHEMBL15603837 0.77 TRPV4 (0.40) TRPV4EGLN2ESR1ESR2
SCHEMBL16604331 0.77 TRPV4 (0.47) TRPV4IDO1EGLN2PDE4APDE4B
SCHEMBL30332317 0.77 ESR1 (0.51) TRPV4IDO1EGLN2PDE4APDE4B
SCHEMBL20730664 0.76 PDE4A (0.35) TRPV4PDE4APDE4BPDE4C

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 TRPV4 1144/4885IDO1 1057/4885EGLN2 4206/4885

“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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