SCHEMBL12740328

SCHEMBL12740328

CCCCCc1ccc(-c2ccc(C3CCC(OCc4ccc(OC)c(F)c4)CC3)c(F)c2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.45
DRD4 P21917 7/20 0.41
SIGMAR1 Q99720 6/20 0.41
TMEM97 Q5BJF2 3/20 0.40
RARB P10826 3/20 0.37
FFAR4 Q5NUL3 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
MGLL Q99685 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
SCHEMBL12740331 0.93 RARB (0.37) NAAADRD4SIGMAR1TMEM97RARB
SCHEMBL12740327 0.89 NAAA (0.48) NAAADRD4SIGMAR1TMEM97
SCHEMBL12736732 0.88 FFAR4 (0.38) NAAARARBFFAR4PPARGPPARA
SCHEMBL12740300 0.88 FFAR4 (0.38) NAAARARBFFAR4PPARGPPARA
SCHEMBL12733910 0.88 SPHK1 (0.41) RARBFFAR4
SCHEMBL12718964 0.88 NAAA (0.48) NAAADRD4SIGMAR1TMEM97PPARA
SCHEMBL12740333 0.88 NAAA (0.48) NAAADRD4SIGMAR1TMEM97
SCHEMBL12739849 0.87 RARB (0.37) RARBFFAR4PPARGPPARA
SCHEMBL12740326 0.86 FFAR4 (0.38) NAAARARBFFAR4RARARARG
SCHEMBL12740330 0.86 NAAA (0.39) NAAADRD4SIGMAR1TMEM97FFAR4

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 NAAA 3997/4885DRD4 97/4885SIGMAR1 1690/4885

“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.