SCHEMBL12823903

SCHEMBL12823903

C=CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MCHR1 Q99705 1/20 0.33
▸ CASR P41180 1/20 0.33
▸ FFAR4 Q5NUL3 5/20 0.32
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA4 P22748 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PPARD Q03181 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
SCHEMBL12823714 0.94 FFAR4 (0.34) APPCYP2C19MCHR1CASRFFAR4
SCHEMBL12822874 0.91 KDM4E (0.38) APPCYP2C19FFAR4ALDH1A1MAPT
SCHEMBL12823097 0.90 THRA (0.33) APPCYP2C19THRATHRBFAAH
SCHEMBL12823719 0.89 CASR (0.36) APPCYP2C19CASRFFAR4CA12
SCHEMBL12741921 0.89 ALDH1A1 (0.38) CYP2C19FFAR4THRATHRBALDH1A1
SCHEMBL12822968 0.89 RARA (0.33) APPCYP2C19CASRFFAR4
SCHEMBL12717868 0.88 MCHR1 (0.35) MCHR1CASRFFAR4ALDH1A1L3MBTL1
SCHEMBL14767128 0.88 KMT2A (0.41) FFAR4THRBALDH1A1L3MBTL1MAPT
SCHEMBL14767083 0.87 PRSS1 (0.41) CYP2C19FFAR4THRATHRBALDH1A1
SCHEMBL13586234 0.87 PTGS2 (0.40) APPCYP2C19FFAR4THRBFAAH

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 APP 2200/4885CYP2C19 2333/4885MCHR1 3483/4885

“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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