SCHEMBL12740596

SCHEMBL12740596

CCCCCCCCOc1ccc(COc2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 2/20 0.43
▸ CNR2 P34972 6/20 0.42
▸ NR5A1 Q13285 1/20 0.42
▸ FFAR1 O14842 3/20 0.41
▸ FFAR4 Q5NUL3 2/20 0.41
▸ CYP2C9 P11712 2/20 0.40
▸ MOGAT2 Q3SYC2 2/20 0.40
▸ ALDH2 P05091 1/20 0.39
▸ RARB P10826 3/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ CNR1 P21554 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
SCHEMBL12740594 1.00 PTPN11 (0.43) PTPN11CNR2NR5A1FFAR1FFAR4
SCHEMBL12740597 1.00 PTPN11 (0.43) PTPN11CNR2NR5A1FFAR1FFAR4
SCHEMBL12740591 0.99 FFAR1 (0.42) PTPN11CNR2NR5A1FFAR1FFAR4
SCHEMBL12740589 0.96 FFAR1 (0.43) PTPN11FFAR1FFAR4CYP2C9MOGAT2
SCHEMBL12737136 0.96 PTPN11 (0.42) PTPN11CNR2NR5A1FFAR1FFAR4
SCHEMBL12737137 0.96 PTPN11 (0.42) PTPN11CNR2NR5A1FFAR1FFAR4
SCHEMBL12737135 0.96 PTPN11 (0.42) PTPN11CNR2NR5A1FFAR1FFAR4
SCHEMBL12737134 0.94 FFAR1 (0.41) PTPN11CNR2NR5A1FFAR1FFAR4
SCHEMBL12737133 0.92 FFAR1 (0.42) PTPN11FFAR1FFAR4CYP2C9MOGAT2
SCHEMBL14766745 0.92 FFAR1 (0.43) PTPN11CNR2NR5A1FFAR1FFAR4

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 PTPN11 3889/4885CNR2 686/4885NR5A1 1826/4885

“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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