SCHEMBL11939331

SCHEMBL11939331

Oc1ccc(COC2CC=C(c3ccc(-c4ccc(O)c(F)c4F)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.34
▸ NAAA Q02083 15/20 0.33
▸ CTSK P43235 2/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.30
▸ HSD17B1 P14061 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
SCHEMBL11939016 0.92 NAAA (0.33) ESR2NAAACTSKHSD17B1
SCHEMBL11939205 0.88 NAAA (0.36) ESR2NAAACTSKHSD17B1
SCHEMBL11939884 0.88 KDM4E (0.33) ESR2
SCHEMBL11939840 0.88 KDM4E (0.33) ESR2
SCHEMBL15381660 0.85 NAAA (0.45) NAAACTSK
SCHEMBL11939351 0.81 SLC6A2 (0.33) —
SCHEMBL11939780 0.81 ESR2 (0.39) ESR2HSD17B1
SCHEMBL11933219 0.81 NAAA (0.42) NAAACTSK
SCHEMBL15381661 0.80 NAAA (0.41) NAAACTSK
SCHEMBL11939015 0.80 NAAA (0.40) 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 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 ESR2 2410/4885NAAA 4102/4885CTSK 1522/4885

“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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