SCHEMBL12735852

SCHEMBL12735852

CCOc1ccc(C2CCC(COc3ccc(C4CCC(CO)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.44
▸ SCN9A Q15858 6/20 0.37
▸ ESR1 P03372 6/20 0.36
▸ ESR2 Q92731 6/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ FPR2 P25090 1/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ SCN5A Q14524 1/20 0.34
▸ SGPL1 O95470 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34

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
SCHEMBL12735849 0.92 FPR2 (0.42) KDM1ASCN9AESR1ESR2CYP3A4
SCHEMBL12735836 0.91 KDM1A (0.45) KDM1ASCN9AFPR2CNR2SCN5A
SCHEMBL12735854 0.90 KDM1A (0.44) KDM1ASCN9AFPR2CNR2SCN5A
SCHEMBL12735779 0.90 CNR2 (0.38) SCN9AESR1ESR2CYP3A4CYP2C9
SCHEMBL12740623 0.90 CNR2 (0.38) SCN9AESR1ESR2CYP3A4CYP2C9
SCHEMBL12821709 0.90 KDM1A (0.41) KDM1ASCN9AFPR2CNR2SCN5A
SCHEMBL12735839 0.89 KDM1A (0.44) KDM1ASCN9ACYP2C9FPR2CNR2
SCHEMBL14766039 0.89 KDM1A (0.44) KDM1ASCN9AFPR2CNR2SGPL1
SCHEMBL14766014 0.89 KDM1A (0.44) KDM1ASCN9AFPR2CNR2SGPL1
SCHEMBL12740650 0.87 FFAR1 (0.44) —

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 KDM1A 937/4885SCN9A 2503/4885ESR1 1665/4885

“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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