SCHEMBL11933124

SCHEMBL11933124

CCCOc1ccc(-c2ccc(C3CCC(c4ccc(C)c(F)c4F)CC3)cc2F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 10/20 0.36
KDM1A O60341 2/20 0.33
PDE4A P27815 2/20 0.33
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HTR2A P28223 1/20 0.32
ACACB O00763 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
TPH1 P17752 2/20 0.32

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
SCHEMBL11933125 0.95 SCN9A (0.35) FPR2KDM1APDE4AACACBALOX5AP
SCHEMBL11933115 0.93 KDM1A (0.40) FPR2KDM1APDE4AALOX5APFEN1
SCHEMBL11933184 0.89 PDE4A (0.33) FPR2KDM1APDE4AHTR2CHTR2B
SCHEMBL15381674 0.87 KDM1A (0.39) FPR2KDM1APDE4A
SCHEMBL15381671 0.87 KDM1A (0.44) FPR2KDM1APDE4ATPH1
SCHEMBL11933308 0.86 ALOX5AP (0.37) FPR2ALOX5APFEN1
SCHEMBL11933208 0.86 NAAA (0.34) FPR2KDM1APDE4A
SCHEMBL10008735 0.85 KDM1A (0.38) FPR2KDM1APDE4A
SCHEMBL10008737 0.85 KDM1A (0.38) FPR2KDM1APDE4A
SCHEMBL11933331 0.85 FFAR1 (0.40) ACACBALOX5APFEN1

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 FPR2 804/4885KDM1A 1622/4885PDE4A 4035/4885

“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.