SCHEMBL12823969

SCHEMBL12823969

CCOc1ccc(OC(=O)C2CCC(c3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.37
▸ PTGS2 P35354 3/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ ACACB O00763 1/20 0.33
▸ ALOX5AP P20292 3/20 0.33
▸ FEN1 P39748 3/20 0.33
▸ FPR2 P25090 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ PDE10A Q9Y233 3/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ALOX15 P16050 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
SCHEMBL12717159 0.90 HPGD (0.31) HPGDALOX5APFEN1
SCHEMBL12822887 0.90 HPGD (0.31) HPGDALOX5APFEN1
SCHEMBL12823250 0.90 FPR2 (0.36) PTGS2PTGS1ACACBALOX5APFEN1
SCHEMBL12822906 0.90 HPGD (0.35) HPGDPTGS2PTGS1ACACBALOX5AP
SCHEMBL12823422 0.89 ACACB (0.36) HPGDPTGS2PTGS1ACACBFFAR4
SCHEMBL12823434 0.89 PTGS2 (0.38) HPGDPTGS2PTGS1ACACBFFAR4
SCHEMBL12822855 0.89 HPGD (0.30) HPGD
SCHEMBL12717623 0.89 HPGD (0.30) HPGD
SCHEMBL12742266 0.88 HPGD (0.39) HPGDALOX5APFEN1FPR2FFAR4
SCHEMBL14766815 0.88 HPGD (0.39) HPGDALOX5APFEN1FFAR4

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 HPGD 4781/4885PTGS2 3919/4885PTGS1 4149/4885

“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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