SCHEMBL11933115

SCHEMBL11933115

CCOc1ccc(-c2ccc(C3CCC(c4ccc(C)c(F)c4F)CC3)cc2F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
FPR2 P25090 4/20 0.35
TPH1 P17752 8/20 0.33
DHODH Q02127 1/20 0.32
PDE4A P27815 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 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
SCHEMBL15381671 0.94 KDM1A (0.44) KDM1AFPR2TPH1DHODHPDE4A
SCHEMBL11933124 0.93 FPR2 (0.36) KDM1AFPR2TPH1PDE4AALOX5AP
SCHEMBL11933125 0.92 SCN9A (0.35) KDM1AFPR2TPH1PDE4AALOX5AP
SCHEMBL11933105 0.89 FPR2 (0.36) KDM1AFPR2ALOX5APFEN1
SCHEMBL10301621 0.88 KDM1A (0.45) KDM1AFPR2TPH1DHODHPDE4A
SCHEMBL11933182 0.88 KDM1A (0.39) KDM1APDE4A
SCHEMBL11933464 0.88 KDM1A (0.39) KDM1ATPH1ALOX5APFEN1
SCHEMBL15381674 0.88 KDM1A (0.39) KDM1AFPR2DHODHPDE4A
SCHEMBL10091358 0.86 FPR2 (0.36) KDM1AFPR2ALOX5APFEN1
SCHEMBL10091367 0.86 KDM1A (0.47) KDM1AFPR2TPH1PDE4A

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-8580147-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
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 KDM1A 1622/4885FPR2 804/4885TPH1 879/4885

“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.