SCHEMBL2213307

SCHEMBL2213307

CCOc1ccc([C@H]2CC[C@H]([C@H]3CC[C@H](CC)CC3)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.34
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
TRPV3 Q8NET8 1/20 0.31
FPR2 P25090 2/20 0.30
SCN9A Q15858 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
HCRTR2 O43614 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
SCHEMBL26209549 1.00 KDM1A (0.34) KDM1AGRIN1GRIN2BTRPV3FPR2
SCHEMBL5849019 1.00 KDM1A (0.34) KDM1AGRIN1GRIN2BTRPV3FPR2
SCHEMBL9631105 1.00 KDM1A (0.34) KDM1AGRIN1GRIN2BTRPV3FPR2
SCHEMBL12716045 0.96 KDM1A (0.36) KDM1AGRIN1GRIN2BTRPV3FPR2
SCHEMBL9405701 0.96 KDM1A (0.36) KDM1AGRIN1GRIN2BTRPV3FPR2
SCHEMBL9405698 0.96 KDM1A (0.36) KDM1AGRIN1GRIN2BTRPV3FPR2
SCHEMBL26209540 0.93 KDM1A (0.38) KDM1AFPR2HCRTR2
SCHEMBL26209563 0.93 KDM1A (0.38) KDM1AFPR2HCRTR2
SCHEMBL17827780 0.93 KDM1A (0.38) KDM1AFPR2HCRTR2
SCHEMBL17827785 0.93 KDM1A (0.38) KDM1AFPR2HCRTR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1903090-B1 Cyclohexene derivative having alkenyl, liquid crystal composition and liquid crystal display device JNC CORP (JP) 2011-07-27 EP disclosed
US-7510749-B2 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time CHISSO CORPORATION (JP) 2009-03-31 US disclosed
EP-1903090-A2 Cyclohexene derivative having alkenyl, liquid crystal composition and liquid crystal display device Chisso Corporation (JP) 2008-03-26 EP disclosed
US-20080063814-A1 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time CHISSO CORPORATION 2008-03-13 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-20080063814-A1 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time POU2F2, HCN2, POU2F1 KDM1A 1275/4885GRIN1 918/4885GRIN2B 1462/4885

“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.