SCHEMBL12740589

SCHEMBL12740589

CCCCOc1ccc(COc2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 6/20 0.43
▸ FFAR4 Q5NUL3 4/20 0.43
▸ S1PR1 P21453 2/20 0.40
▸ S1PR3 Q99500 2/20 0.40
▸ DRD2 P14416 3/20 0.40
▸ DRD4 P21917 3/20 0.40
▸ DRD3 P35462 3/20 0.40
▸ MCL1 Q07820 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CYP2C9 P11712 4/20 0.38
▸ MOGAT2 Q3SYC2 2/20 0.38
▸ RARA P10276 1/20 0.38
▸ RARB P10826 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP19A1 P11511 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL12740591 0.98 FFAR1 (0.42) FFAR1FFAR4S1PR1S1PR3DRD2
SCHEMBL12740596 0.96 PTPN11 (0.43) FFAR1FFAR4S1PR1S1PR3CYP2C9
SCHEMBL12740597 0.96 PTPN11 (0.43) FFAR1FFAR4S1PR1S1PR3CYP2C9
SCHEMBL12740594 0.96 PTPN11 (0.43) FFAR1FFAR4S1PR1S1PR3CYP2C9
SCHEMBL12737133 0.95 FFAR1 (0.42) FFAR1FFAR4S1PR1S1PR3DRD2
SCHEMBL14766745 0.95 FFAR1 (0.43) FFAR1FFAR4S1PR1S1PR3MCL1
SCHEMBL12737134 0.93 FFAR1 (0.41) FFAR1FFAR4S1PR1S1PR3DRD2
SCHEMBL14766810 0.93 FFAR1 (0.42) FFAR1FFAR4S1PR1S1PR3MCL1
SCHEMBL12737136 0.92 PTPN11 (0.42) FFAR1FFAR4S1PR1S1PR3CYP2C9
SCHEMBL12737135 0.92 PTPN11 (0.42) FFAR1FFAR4S1PR1S1PR3CYP2C9

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 FFAR1 247/4885FFAR4 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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