SCHEMBL12736605

SCHEMBL12736605

CCOc1ccc(C2CCC(OCc3ccc(C4CCC(CO)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.36
▸ ESR1 P03372 6/20 0.33
▸ ESR2 Q92731 6/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ ACACB O00763 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ HCRTR2 O43614 3/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.30
▸ MAPT P10636 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
SCHEMBL12740210 1.00 NAAA (0.36) NAAAESR1ESR2CYP3A4CYP2C9
SCHEMBL14922552 0.92 NAAA (0.40) NAAAHTR1AACACBHCRTR2PTGDR2
SCHEMBL12740203 0.91 NAAA (0.37) NAAAHTR1AACACBHCRTR2
SCHEMBL10302584 0.91 NAAA (0.37) NAAAHTR1AACACBHCRTR2PTGDR2
SCHEMBL12736592 0.91 NAAA (0.37) NAAAHTR1AACACBHCRTR2
SCHEMBL12736640 0.90 KDM1A (0.40) NAAAESR1ESR2CYP3A4CYP2C9
SCHEMBL12740209 0.90 ESR1 (0.34) NAAAESR1ESR2CYP3A4CYP2C9
SCHEMBL12736602 0.90 ESR1 (0.34) NAAAESR1ESR2CYP3A4CYP2C9
SCHEMBL14765825 0.89 NAAA (0.39) NAAAHTR1AACACBHCRTR2PTGDR2
SCHEMBL14766900 0.89 NAAA (0.39) NAAAHTR1AACACBHCRTR2PTGDR2

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 NAAA 3997/4885ESR1 1665/4885ESR2 1733/4885

“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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