SCHEMBL12717227

SCHEMBL12717227

C=CCCCOc1ccc(-c2ccc(COc3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.37
▸ S1PR3 Q99500 3/20 0.37
▸ CNR2 P34972 2/20 0.33
▸ FFAR1 O14842 2/20 0.33
▸ ALDH2 P05091 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ PPARD Q03181 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ ALOX5 P09917 2/20 0.32
▸ PSEN1 P49768 2/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PTGES O14684 1/20 0.31
▸ CA12 O43570 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
SCHEMBL12717086 0.97 S1PR1 (0.35) S1PR1S1PR3CNR2FFAR1CNR1
SCHEMBL12822540 0.96 FFAR1 (0.36) S1PR1S1PR3CNR2FFAR1ALDH2
SCHEMBL12822532 0.92 FFAR1 (0.37) CNR2FFAR1CNR1PPARDKDM4E
SCHEMBL12823606 0.91 FFAR1 (0.36) S1PR1S1PR3FFAR1PPARDKDM4E
SCHEMBL12823288 0.91 CNR2 (0.35) CNR2CNR1FFAR4ALOX5PSEN1
SCHEMBL12822939 0.91 CNR2 (0.35) CNR2CNR1FFAR4ALOX5PSEN1
SCHEMBL10303082 0.90 S1PR1 (0.38) S1PR1S1PR3CNR2FFAR1ALDH2
SCHEMBL12717067 0.89 S1PR1 (0.36) S1PR1CNR2FFAR1CNR1PPARD
SCHEMBL10303187 0.89 FFAR1 (0.35) S1PR1CNR2FFAR1CNR1FFAR4
SCHEMBL14766252 0.88 S1PR1 (0.42) S1PR1S1PR3CNR2FFAR1ALDH2

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 757/4885CNR2 686/4885

“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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