SCHEMBL11939328

SCHEMBL11939328

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.34
▸ NAAA Q02083 1/20 0.33
▸ FPR2 P25090 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ ALOX5AP P20292 2/20 0.30
▸ FEN1 P39748 2/20 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
SCHEMBL11939195 1.00 ACACB (0.34) ACACBNAAAFPR2MAOAMAOB
SCHEMBL12223487 0.97 ACACB (0.33) ACACBNAAAFPR2
SCHEMBL10303214 0.97 NAAA (0.35) ACACBNAAAMAOAMAOB
SCHEMBL12994445 0.91 NAAA (0.31) ACACBNAAAFPR2MAOAMAOB
SCHEMBL11939822 0.91 NAAA (0.33) ACACBNAAAFPR2ALOX5APFEN1
SCHEMBL15381649 0.90 NAAA (0.38) ACACBNAAAFPR2ALOX5APFEN1
SCHEMBL11939217 0.90 FPR2 (0.36) ACACBFPR2ALOX5APFEN1
SCHEMBL15381759 0.90 NAAA (0.38) ACACBNAAAFPR2ALOX5APFEN1
SCHEMBL11939379 0.89 PTGDR2 (0.35) ACACBMAOAMAOBALOX5APFEN1
SCHEMBL11939375 0.89 PTGDR2 (0.35) ACACBMAOAMAOBALOX5APFEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ACACB 2039/4885NAAA 4102/4885FPR2 804/4885

“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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