SCHEMBL12734752

SCHEMBL12734752

CCCCCc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(OCC)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 4/20 0.44
▸ S1PR1 P21453 2/20 0.41
▸ S1PR3 Q99500 2/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HMOX1 P09601 2/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RARA P10276 1/20 0.35
▸ RARG P13631 1/20 0.35
▸ FFAR1 O14842 2/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ ESR1 P03372 2/20 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
SCHEMBL12739611 0.94 RAB9A (0.41) RARBS1PR1S1PR3RAB9AMAPT
SCHEMBL12734748 0.93 HMOX1 (0.39) RARBS1PR1S1PR3RAB9AMAPT
SCHEMBL12734743 0.91 RARB (0.45) RARBS1PR1S1PR3L3MBTL1RARA
SCHEMBL14765711 0.90 FFAR1 (0.44) S1PR1S1PR3RAB9AMAPTHMOX1
SCHEMBL10301728 0.89 HMOX1 (0.38) RARBS1PR1S1PR3RAB9AMAPT
SCHEMBL14766214 0.88 RELA (0.44) RAB9AMAPTHMOX1MEN1MAPK1
SCHEMBL12734762 0.88 HMOX1 (0.40) S1PR1S1PR3RAB9AMAPTHMOX1
SCHEMBL12734756 0.87 HMOX1 (0.39) RAB9AMAPTHMOX1MEN1MAPK1
SCHEMBL12739610 0.86 CYP1A1 (0.40) S1PR1S1PR3RAB9AMAPTHMOX1
SCHEMBL12734594 0.86 RARB (0.38) RARBRAB9AMAPTL3MBTL1MEN1

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 RARB 2705/4885S1PR1 1190/4885S1PR3 757/4885

“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.

Send feedback