SCHEMBL12740568

SCHEMBL12740568

CCCCCc1ccc(COc2ccc(-c3ccc(-c4ccc(CCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 2/20 0.46
▸ FFAR4 Q5NUL3 12/20 0.43
▸ S1PR1 P21453 1/20 0.41
▸ FFAR1 O14842 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SLCO1B3 Q9NPD5 1/20 0.40
▸ SLCO1B1 Q9Y6L6 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAOB P27338 1/20 0.39

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
SCHEMBL12740565 0.97 FFAR4 (0.43) RARBFFAR4S1PR1FFAR1MAOB
SCHEMBL12737120 0.96 RARB (0.47) RARBFFAR4S1PR1FFAR1MEN1
SCHEMBL10302520 0.94 RARB (0.41) RARBFFAR4S1PR1FFAR1MAPT
SCHEMBL12737119 0.92 RARB (0.43) RARBFFAR4S1PR1FFAR1MAOB
SCHEMBL12740518 0.92 RARB (0.42) RARBFFAR4S1PR1FFAR1MEN1
SCHEMBL10302519 0.91 FFAR4 (0.39) RARBFFAR4S1PR1FFAR1MAOB
SCHEMBL10302525 0.90 MAPT (0.42) RARBFFAR4S1PR1FFAR1MEN1
SCHEMBL12740577 0.90 MAPT (0.46) RARBFFAR4S1PR1FFAR1MEN1
SCHEMBL12740572 0.90 FFAR1 (0.47) RARBFFAR4S1PR1FFAR1MEN1
SCHEMBL12740559 0.90 FFAR4 (0.41) RARBFFAR4S1PR1FFAR1MAOB

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 2705/4885FFAR4 546/4885S1PR1 1190/4885

“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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