SCHEMBL12716774

SCHEMBL12716774

C=CCCOc1ccc(-c2ccc(COc3ccc(C4CCC(C(O)CCC)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.34
▸ S1PR1 P21453 2/20 0.32
▸ S1PR3 Q99500 2/20 0.32
▸ F10 P00742 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ CSF1R P07333 4/20 0.32
▸ PPARD Q03181 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.30
▸ ACACB O00763 1/20 0.30
▸ FEN1 P39748 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
SCHEMBL12717508 0.97 FFAR1 (0.34) FFAR1S1PR1S1PR3F10NR1H4
SCHEMBL12823581 0.94 FFAR1 (0.34) FFAR1F10CSF1RPPARDFEN1
SCHEMBL12823852 0.92 FFAR1 (0.34) FFAR1S1PR1S1PR3F10GABRA1
SCHEMBL12822919 0.91 FFAR1 (0.36) FFAR1S1PR1S1PR3F10NR1H4
SCHEMBL12822766 0.91 FFAR1 (0.36) FFAR1F10GABRA1GABRB2PPARD
SCHEMBL12717013 0.91 GABRA1 (0.34) GABRA1GABRB2FEN1
SCHEMBL12823556 0.91 GABRA1 (0.34) GABRA1GABRB2FEN1
SCHEMBL12717194 0.91 FFAR1 (0.37) FFAR1S1PR1S1PR3F10NR1H4
SCHEMBL12717484 0.89 S1PR1 (0.33) FFAR1S1PR1S1PR3NR1H4PPARD
SCHEMBL12823895 0.89 FFAR1 (0.35) FFAR1F10GABRA1GABRB2PPARD

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 FFAR1 247/4885S1PR1 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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