SCHEMBL12822692

SCHEMBL12822692

C=CCCCOc1ccc(-c2ccc(CCc3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.40
▸ S1PR3 Q99500 2/20 0.40
▸ RARB P10826 1/20 0.33
▸ FFAR1 O14842 2/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ PTGS2 P35354 2/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ CA4 P22748 2/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ ALDH2 P05091 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ CNR2 P34972 4/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ APP P05067 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ MEN1 O00255 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
SCHEMBL12822073 0.96 S1PR1 (0.39) S1PR1S1PR3RARBFFAR1CA4
SCHEMBL12719083 0.96 S1PR1 (0.38) S1PR1S1PR3FFAR1FFAR4PTPN11
SCHEMBL12719076 0.91 S1PR1 (0.37) S1PR1S1PR3FFAR1FFAR4PTPN11
SCHEMBL10303001 0.91 S1PR1 (0.41) S1PR1S1PR3RARBFFAR1FFAR4
SCHEMBL12822069 0.90 FFAR1 (0.35) S1PR1S1PR3FFAR1FFAR4PTGS2
SCHEMBL12822962 0.89 PTGS2 (0.39) S1PR1S1PR3RARBFFAR1FFAR4
SCHEMBL12821360 0.89 CNR2 (0.35) CNR2CNR1
SCHEMBL12719242 0.89 CNR2 (0.35) CNR2CNR1
SCHEMBL14766053 0.88 S1PR1 (0.45) S1PR1S1PR3RARBFFAR1FFAR4
SCHEMBL12719296 0.88 FFAR1 (0.36) S1PR1S1PR3FFAR1FFAR4CA4

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 2 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
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 757/4885RARB 2705/4885

“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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