SCHEMBL12823472

SCHEMBL12823472

C=CCCOc1ccc(-c2ccc(C(=O)Oc3ccc(C4CCC(C(C)O)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 9/20 0.36
▸ ALOX5AP P20292 2/20 0.34
▸ FEN1 P39748 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ FFAR1 O14842 3/20 0.32
▸ APP P05067 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ SRD5A2 P31213 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
SCHEMBL12823948 0.94 ALOX5AP (0.36) FFAR4ALOX5APFEN1FFAR1
SCHEMBL12821292 0.92 ADRB2 (0.35) FFAR4ALOX5APFEN1NR1H4FFAR1
SCHEMBL12717484 0.92 S1PR1 (0.33) FFAR4ALOX5APFEN1NR1H4FFAR1
SCHEMBL12737456 0.91 ALOX5AP (0.35) FFAR4ALOX5APFEN1NR1H4FFAR1
SCHEMBL14766704 0.90 ALOX5AP (0.34) FFAR4ALOX5APFEN1NR1H4FFAR1
SCHEMBL12719496 0.90 ALOX5AP (0.38) ALOX5APFEN1CCNCCDK8
SCHEMBL12822740 0.90 ALOX5AP (0.38) ALOX5APFEN1CCNCCDK8
SCHEMBL13586477 0.89 PTGS2 (0.39) FFAR4ALOX5APFEN1NR1H4FFAR1
SCHEMBL12823702 0.89 FFAR4 (0.37) FFAR4ALOX5APFEN1
SCHEMBL12717914 0.89 S1PR1 (0.34) FFAR4ALOX5APFEN1HRH3NR1H4

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 FFAR4 546/4885ALOX5AP 1673/4885FEN1 3340/4885

“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.

Send feedback