SCHEMBL3439588

SCHEMBL3439588

CCCCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.40
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
FAAH O00519 2/20 0.33
PTGS2 P35354 1/20 0.33
GPR3 P46089 1/20 0.33
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 2/20 0.33
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
HTR2A P28223 1/20 0.32
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 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
SCHEMBL12625460 0.99 RARB (0.39) RARBRARARARGFAAHPTGS2
SCHEMBL3439571 0.99 RARB (0.39) RARBRARARARGFAAHPTGS2
SCHEMBL3439577 0.99 RARB (0.39) RARBRARARARGFAAHPTGS2
SCHEMBL14884726 0.97 RARB (0.40) RARBRARARARGFAAHPTGS2
SCHEMBL12625470 0.97 RARB (0.40) RARBRARARARGFAAHPTGS2
SCHEMBL12624717 0.96 RARB (0.38) RARBRARARARGFAAHPTGS2
SCHEMBL3439574 0.96 RARB (0.35) RARBRARARARGFAAHPTGS2
SCHEMBL3439576 0.96 RARB (0.35) RARBRARARARGFAAHPTGS2
SCHEMBL16789608 0.95 RARB (0.41) RARBRARARARGFAAHPTGS2
SCHEMBL12625473 0.94 RARB (0.41) RARBRARARARGFAAHPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611429-B2 Liquid crystal medium, optical device and liquid crystal compound JNC CORPORATION (JP) 2017-04-04 US disclosed
US-20160304784-A1 LIQUID CRYSTAL MEDIUM, OPTICAL DEVICE AND LIQUID CRYSTAL COMPOUND JNC CORPORATION (JP) 2016-10-20 US disclosed
US-20160122648-A1 LIQUID CRYSTAL MEDIUM, OPTICAL DEVICE AND LIQUID CRYSTAL COMPOUND JNC CORPORATION (JP) 2016-05-05 US disclosed
US-8409673-B2 Chlorobenzene derivative, optically isotropic liquid crystal medium, and optical device JNC CORPORATION (JP) 2013-04-02 US disclosed
US-20120099039-A1 CHLOROBENZENE DERIVATIVE, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-04-26 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-20120099039-A1 CHLOROBENZENE DERIVATIVE, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE CRYAB, CYBA, CCNB1 RARB 153/4885RARA 564/4885RARG 1973/4885
US-20160304784-A1 LIQUID CRYSTAL MEDIUM, OPTICAL DEVICE AND LIQUID CRYSTAL COMPOUND HCN1, PIEZO1, NCS1 RARB 3448/4885RARA 2757/4885RARG 3912/4885

“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.