SCHEMBL12719032

SCHEMBL12719032

C=CCCCOc1ccc(CCc2ccc(-c3ccc(C4CCC(C(O)CCC)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 11/20 0.36
▸ S1PR1 P21453 2/20 0.34
▸ S1PR3 Q99500 2/20 0.34
▸ FFAR1 O14842 3/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ HTR2A P28223 1/20 0.30

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
SCHEMBL12719223 0.96 FFAR4 (0.35) FFAR4S1PR1S1PR3FFAR1
SCHEMBL12716824 0.95 S1PR1 (0.37) FFAR4S1PR1S1PR3FFAR1GABRA1
SCHEMBL12719110 0.92 FFAR4 (0.36) FFAR4FFAR1
SCHEMBL12823249 0.91 S1PR1 (0.36) FFAR4S1PR1S1PR3FFAR1
SCHEMBL13586192 0.90 FFAR4 (0.38) FFAR4S1PR1S1PR3FFAR1HTR2A
SCHEMBL12823852 0.89 FFAR1 (0.34) FFAR4S1PR1S1PR3FFAR1GABRA1
SCHEMBL12822440 0.89 GABRA1 (0.35) FFAR4GABRA1GABRB2
SCHEMBL12822419 0.89 GABRA1 (0.35) FFAR4GABRA1GABRB2
SCHEMBL12719207 0.88 GABRA1 (0.34) FFAR4S1PR1GABRA1GABRB2
SCHEMBL12718971 0.88 FFAR4 (0.35) FFAR4S1PR1FFAR1

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 FFAR4 546/4885S1PR1 1190/4885S1PR3 757/4885

“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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