SCHEMBL12717086

SCHEMBL12717086

C=CCCOc1ccc(-c2ccc(COc3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.35
▸ S1PR3 Q99500 3/20 0.35
▸ CASR P41180 1/20 0.33
▸ FFAR1 O14842 5/20 0.32
▸ PPARD Q03181 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PTGS2 P35354 2/20 0.32
▸ CNR2 P34972 2/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ CA4 P22748 1/20 0.31

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
SCHEMBL12717227 0.97 S1PR1 (0.37) S1PR1S1PR3FFAR1PPARDKDM4E
SCHEMBL12823606 0.95 FFAR1 (0.36) S1PR1S1PR3FFAR1PPARDKDM4E
SCHEMBL12822540 0.92 FFAR1 (0.36) S1PR1S1PR3FFAR1PPARDCNR2
SCHEMBL12823600 0.91 FFAR1 (0.36) FFAR1PPARDKDM4EMAPTMAPK1
SCHEMBL12823181 0.91 GABRA1 (0.33) CNR2CNR1FFAR4
SCHEMBL12823066 0.91 GABRA1 (0.33) CNR2CNR1FFAR4
SCHEMBL10303126 0.90 S1PR1 (0.36) S1PR1S1PR3FFAR1PPARDKDM4E
SCHEMBL12717334 0.89 CASR (0.36) S1PR1S1PR3CASRFFAR1PPARD
SCHEMBL12716840 0.89 FAAH (0.34) S1PR1FFAR1PPARDCNR2CNR1
SCHEMBL12822532 0.89 FFAR1 (0.37) FFAR1PPARDKDM4EMAPTMAPK1

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 3 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
EP-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 — — EP 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 S1PR1 1190/4885S1PR3 757/4885CASR 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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