SCHEMBL12717334

SCHEMBL12717334

C=CCCOc1ccc(-c2ccc(COc3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.36
▸ APP P05067 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ S1PR1 P21453 3/20 0.34
▸ S1PR3 Q99500 3/20 0.34
▸ CA4 P22748 4/20 0.34
▸ CA12 O43570 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ FFAR1 O14842 4/20 0.33
▸ PPARD Q03181 2/20 0.32
▸ MAOB P27338 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ALDH2 P05091 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
SCHEMBL12823867 0.94 FFAR1 (0.36) CASRKDM4EMAPTMAPK1FFAR1
SCHEMBL12822853 0.91 FFAR1 (0.38) KDM4EMAPTMAPK1FFAR1PPARD
SCHEMBL12717215 0.91 MGAM (0.36) CASRAPPCYP2C19S1PR1S1PR3
SCHEMBL12822929 0.90 FFAR4 (0.33) CASRKDM4EFFAR4
SCHEMBL12823103 0.90 FFAR4 (0.33) CASRKDM4EFFAR4
SCHEMBL12717086 0.89 S1PR1 (0.35) CASRS1PR1S1PR3CA4PTGS2
SCHEMBL12717207 0.88 ERN1 (0.36) CASRS1PR1FFAR1PPARDCYP3A4
SCHEMBL10303140 0.88 MRGPRX4 (0.36) CASRAPPCYP2C19PTGS2FFAR1
SCHEMBL14766182 0.88 FFAR1 (0.40) S1PR1S1PR3KDM4EMAPTMAPK1
SCHEMBL12736576 0.88 FFAR4 (0.39) CYP2C19S1PR1S1PR3KDM4EMAPT

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 CASR 2823/4885APP 2200/4885CYP2C19 2333/4885

“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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