SCHEMBL12733570

SCHEMBL12733570

Cc1ccc(-c2ccc(C3CCC(C=O)CC3)c(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 8/20 0.36
FEN1 P39748 8/20 0.36
PTGS2 P35354 5/20 0.33
PTGS1 P23219 2/20 0.32
NOTUM Q6P988 1/20 0.31
DGAT1 O75907 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
SCHEMBL11953550 0.83 NOTUM (0.32) NOTUM
SCHEMBL12856682 0.82 ALOX5AP (0.39) ALOX5APFEN1PTGS2PTGS1NOTUM
SCHEMBL20614300 0.81 ALOX5AP (0.38) ALOX5APFEN1PTGS2PTGS1
SCHEMBL14765743 0.80 CHRM2 (0.38)
SCHEMBL12733572 0.80 ALOX5AP (0.37) ALOX5APFEN1PTGS2PTGS1
SCHEMBL10091337 0.79 NOTUM (0.35) NOTUM
SCHEMBL12733569 0.79 ALOX5AP (0.39) ALOX5APFEN1DGAT1
SCHEMBL12856703 0.79 ALOX5AP (0.36) ALOX5APFEN1PTGS2PTGS1
SCHEMBL12821165 0.79 ALOX5AP (0.30) ALOX5APFEN1
SCHEMBL12733568 0.78 ALOX5AP (0.36) ALOX5APFEN1PTGS2DGAT1

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
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

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 ALOX5AP 1673/4885FEN1 3340/4885PTGS2 3919/4885

“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.