SCHEMBL10302584

SCHEMBL10302584

CCOc1ccc(C2CCC(OCc3ccc(CO)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.37
▸ HTR1A P08908 1/20 0.33
▸ ACACB O00763 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HCRTR2 O43614 6/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL14922552 0.94 NAAA (0.40) NAAAHTR1AACACBHCRTR2PTGDR2
SCHEMBL14766900 0.91 NAAA (0.39) NAAAHTR1AACACBL3MBTL1HCRTR2
SCHEMBL14765825 0.91 NAAA (0.39) NAAAHTR1AACACBL3MBTL1HCRTR2
SCHEMBL12736605 0.91 NAAA (0.36) NAAAHTR1AACACBHCRTR2PTGDR2
SCHEMBL12740210 0.91 NAAA (0.36) NAAAHTR1AACACBHCRTR2PTGDR2
SCHEMBL15381759 0.90 NAAA (0.38) NAAAHTR1AACACBHCRTR2
SCHEMBL10302578 0.90 NAAA (0.38) NAAAHTR1AACACBL3MBTL1HCRTR2
SCHEMBL15381649 0.90 NAAA (0.38) NAAAHTR1AACACBHCRTR2
SCHEMBL12223913 0.89 NAAA (0.36) NAAAHTR1AACACBKDM4EL3MBTL1
SCHEMBL12718957 0.89 NAAA (0.38) NAAAHTR1AACACBHCRTR2

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-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 — — 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 NAAA 3989/4885HTR1A 591/4885ACACB 3911/4885

“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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