SCHEMBL12717484

SCHEMBL12717484

C=CCCOc1ccc(-c2ccc(C(=O)Oc3ccc(C4CCC(C(O)CCC)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ ALOX5AP P20292 2/20 0.32
▸ FEN1 P39748 2/20 0.32
▸ FFAR4 Q5NUL3 3/20 0.32
▸ ROCK1 Q13464 2/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ PRKACA P17612 1/20 0.30
▸ GSK3A P49840 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ PRKX P51817 1/20 0.30
▸ PRKCQ Q04759 1/20 0.30
▸ CLK4 Q9HAZ1 1/20 0.30
▸ FFAR1 O14842 2/20 0.30
▸ PTPN11 Q06124 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
SCHEMBL12717914 0.97 S1PR1 (0.34) S1PR1S1PR3ALOX5APFEN1FFAR4
SCHEMBL12822938 0.94 ALOX5AP (0.34) ALOX5APFEN1FFAR4PPARDPPARA
SCHEMBL12822807 0.92 ALOX5AP (0.33) S1PR1S1PR3ALOX5APFEN1FFAR4
SCHEMBL12823472 0.92 FFAR4 (0.36) S1PR1S1PR3ALOX5APFEN1FFAR4
SCHEMBL13586360 0.91 FFAR4 (0.36) S1PR1S1PR3ALOX5APFEN1FFAR4
SCHEMBL12823989 0.90 ALOX5AP (0.36) ALOX5APFEN1
SCHEMBL12823253 0.90 ALOX5AP (0.36) ALOX5APFEN1
SCHEMBL12719394 0.90 FFAR4 (0.33) ALOX5APFEN1FFAR4
SCHEMBL12716774 0.89 FFAR1 (0.34) S1PR1S1PR3FEN1FFAR4PPARD
SCHEMBL12823549 0.88 CRBN (0.34) S1PR1S1PR3FFAR4NR1H4ACACB

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 757/4885ALOX5AP 1673/4885

“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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