SCHEMBL12823641

SCHEMBL12823641

CCOc1ccc(-c2ccc(CCc3ccc(C4=CCC(OC)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.39
FFAR4 Q5NUL3 1/20 0.32
GRM2 Q14416 1/20 0.31
KDM1A O60341 2/20 0.31
CYP17A1 P05093 1/20 0.31
CCNT1 O60563 1/20 0.30
CDK9 P50750 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
SCHEMBL14766198 0.93 NAAA (0.41) NAAAFFAR4KDM1ACCNT1CDK9
SCHEMBL12718705 0.92 NAAA (0.41) NAAAGRM2CYP17A1
SCHEMBL12718040 0.91 FFAR4 (0.34) NAAAFFAR4GRM2CCNT1CDK9
SCHEMBL12738713 0.89 NAAA (0.38) NAAAFFAR4KDM1ACCNT1CDK9
SCHEMBL14766715 0.89 NAAA (0.39) NAAAFFAR4CCNT1CDK9
SCHEMBL12718727 0.88 NAAA (0.38) NAAAFFAR4KDM1ACCNT1CDK9
SCHEMBL13586153 0.88 NAAA (0.33) NAAAGRM2
SCHEMBL12738707 0.87 NAAA (0.37) NAAAFFAR4KDM1ACCNT1CDK9
SCHEMBL12738703 0.87 NAAA (0.37) NAAAFFAR4KDM1ACCNT1CDK9
SCHEMBL12738711 0.87 ESR2 (0.37) NAAAFFAR4KDM1ACCNT1CDK9

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 3 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
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 NAAA 3997/4885FFAR4 546/4885GRM2 2666/4885

“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.