SCHEMBL11939245

SCHEMBL11939245

CCOc1ccc(-c2ccc(C3CCC(OCc4ccc(O)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ FPR2 P25090 3/20 0.33
▸ ACACB O00763 3/20 0.32
▸ IKBKB O14920 1/20 0.32
▸ HTR1A P08908 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 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
SCHEMBL11939055 1.00 NAAA (0.35) NAAAKDM4EL3MBTL1FPR2ACACB
SCHEMBL12223913 0.97 NAAA (0.36) NAAAKDM4EL3MBTL1ACACBIKBKB
SCHEMBL15381759 0.93 NAAA (0.38) NAAAFPR2ACACBHTR1AALOX5AP
SCHEMBL15381649 0.93 NAAA (0.38) NAAAFPR2ACACBHTR1AALOX5AP
SCHEMBL11939184 0.91 KDM4E (0.36) KDM4EL3MBTL1ACACBHTR1AALOX5AP
SCHEMBL11939206 0.91 KDM4E (0.36) KDM4EL3MBTL1ACACBHTR1AALOX5AP
SCHEMBL14922574 0.90 NAAA (0.36) NAAAFPR2ACACBHTR1AALOX5AP
SCHEMBL14922552 0.90 NAAA (0.40) NAAAACACBHTR1AALOX5APFEN1
SCHEMBL15381670 0.90 FPR2 (0.38) KDM4EFPR2IKBKBALOX5APFEN1
SCHEMBL12223457 0.89 NAAA (0.30) NAAA

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-8580147-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 — — US disclosed
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 — — 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 NAAA 4102/4885KDM4E 4164/4885L3MBTL1 141/4885

“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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