SCHEMBL12822887

SCHEMBL12822887

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

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALOX5AP P20292 2/20 0.31
▸ FEN1 P39748 2/20 0.31
▸ GYS1 P13807 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
SCHEMBL12717159 1.00 HPGD (0.31) HPGDKDM4EALOX5APFEN1GYS1
SCHEMBL12717623 0.92 HPGD (0.30) HPGD
SCHEMBL12822855 0.92 HPGD (0.30) HPGD
SCHEMBL12821182 0.91 HTR2C (0.34) ALOX5APFEN1GYS1
SCHEMBL12823969 0.90 HPGD (0.37) HPGDALOX5APFEN1
SCHEMBL12737301 0.89 ALOX5AP (0.34) HPGDKDM4EALOX5APFEN1GYS1
SCHEMBL12742298 0.89 ALOX5AP (0.34) HPGDKDM4EALOX5APFEN1GYS1
SCHEMBL12823436 0.89 FFAR4 (0.34) KDM4EGYS1
SCHEMBL12822878 0.89 GYS1 (0.33) HPGDGYS1
SCHEMBL12823239 0.89 POLB (0.35) GYS1

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 4781/4885KDM4E 2690/4885ALOX5AP 1673/4885

“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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