SCHEMBL11939206

SCHEMBL11939206

Oc1ccc(-c2ccc(COC3CCC(c4ccc(O)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ACACB O00763 1/20 0.32
▸ HCRTR2 O43614 3/20 0.31
▸ ALOX5AP P20292 6/20 0.31
▸ FEN1 P39748 6/20 0.31
▸ TYR P14679 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
SCHEMBL11939184 1.00 KDM4E (0.36) KDM4EL3MBTL1HTR1AACACBHCRTR2
SCHEMBL12223922 0.96 KDM4E (0.34) KDM4EL3MBTL1HTR1AACACB
SCHEMBL12223915 0.96 KDM4E (0.39) KDM4EL3MBTL1HTR1AACACBHCRTR2
SCHEMBL11939055 0.91 NAAA (0.35) KDM4EL3MBTL1HTR1AACACBALOX5AP
SCHEMBL11939245 0.91 NAAA (0.35) KDM4EL3MBTL1HTR1AACACBALOX5AP
SCHEMBL12224613 0.89 HTR1A (0.32) KDM4EL3MBTL1HTR1A
SCHEMBL10303265 0.89 KDM4E (0.34) KDM4EL3MBTL1HTR1AACACBHCRTR2
SCHEMBL11939348 0.87 — —
SCHEMBL12223982 0.87 HTR1A (0.32) KDM4EL3MBTL1HTR1A
SCHEMBL12223913 0.87 NAAA (0.36) KDM4EL3MBTL1HTR1AACACBHCRTR2

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 KDM4E 4164/4885L3MBTL1 141/4885HTR1A 425/4885

“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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