SCHEMBL12823867

SCHEMBL12823867

C=CCCOc1ccc(OCc2ccc(-c3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 17/20 0.36
▸ PPARD Q03181 8/20 0.36
▸ CASR P41180 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL12822853 0.96 FFAR1 (0.38) FFAR1PPARDKDM4EMAPTMAPK1
SCHEMBL12717334 0.94 CASR (0.36) FFAR1PPARDCASRKDM4EMAPT
SCHEMBL12822541 0.90 FFAR1 (0.38) FFAR1PPARDMRGPRX4
SCHEMBL12823290 0.90 FFAR1 (0.37) FFAR1PPARDMAPTMRGPRX4
SCHEMBL12717207 0.90 ERN1 (0.36) FFAR1PPARDCASRMRGPRX4
SCHEMBL10303140 0.89 MRGPRX4 (0.36) FFAR1CASRMRGPRX4
SCHEMBL12823606 0.89 FFAR1 (0.36) FFAR1PPARDKDM4EMAPTMAPK1
SCHEMBL12719255 0.88 FFAR1 (0.39) FFAR1PPARDKDM4EMAPTMAPK1
SCHEMBL12822929 0.88 FFAR4 (0.33) CASRKDM4E
SCHEMBL12823103 0.88 FFAR4 (0.33) CASRKDM4E

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-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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO 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 247/4885PPARD 3762/4885CASR 2823/4885

“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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