SCHEMBL12823600

SCHEMBL12823600

C=CCCOc1ccc(OCc2ccc(-c3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 13/20 0.36
▸ PPARD Q03181 8/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ CNR1 P21554 1/20 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
SCHEMBL12823606 0.96 FFAR1 (0.36) FFAR1PPARDKDM4EMAPTMAPK1
SCHEMBL12822532 0.96 FFAR1 (0.37) FFAR1PPARDKDM4EMAPTMAPK1
SCHEMBL12823850 0.95 FFAR1 (0.37) FFAR1PPARDCNR2CNR1
SCHEMBL12822540 0.92 FFAR1 (0.36) FFAR1PPARDCNR2CNR1
SCHEMBL12717086 0.91 S1PR1 (0.35) FFAR1PPARDKDM4EMAPTMAPK1
SCHEMBL12716840 0.90 FAAH (0.34) FFAR1PPARDCNR2CNR1
SCHEMBL12719452 0.90 FFAR1 (0.38) FFAR1PPARDCNR2CNR1
SCHEMBL10303094 0.90 FFAR1 (0.35) FFAR1CNR2CNR1
SCHEMBL12822853 0.89 FFAR1 (0.38) FFAR1PPARDKDM4EMAPTMAPK1
SCHEMBL12823066 0.89 GABRA1 (0.33) CNR2CNR1

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 3762/4885KDM4E 2690/4885

“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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