SCHEMBL11933464

SCHEMBL11933464

CCOc1ccc(OCc2ccc(C3CCC(c4ccc(C)c(F)c4F)CC3)cc2F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
HTR6 P50406 2/20 0.36
NAAA Q02083 1/20 0.35
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PKM P14618 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
RXRG P48443 1/20 0.33
TPH1 P17752 4/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN3A Q9NY46 1/20 0.32
RORC P51449 1/20 0.32
KDM4E B2RXH2 1/20 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
SCHEMBL15381806 0.94 KDM1A (0.43) KDM1AKDM5AKDM4CKDM5BHTR6
SCHEMBL11933465 0.92 SCN9A (0.35) KDM1AKDM5AKDM4CKDM5BHTR6
SCHEMBL11933402 0.90 KDM1A (0.39) KDM1AKDM5AKDM4CKDM5BNAAA
SCHEMBL11933466 0.90 KDM5A (0.35) KDM1AKDM5AKDM4CKDM5BHTR6
SCHEMBL15381796 0.88 KDM1A (0.39) KDM1AKDM5AKDM4CKDM5BHTR6
SCHEMBL11933115 0.88 KDM1A (0.40) KDM1ATPH1ALOX5APFEN1
SCHEMBL11942722 0.88 KDM5A (0.33) KDM1AKDM5AKDM4CKDM5BHTR6
SCHEMBL11933425 0.87 PTGDR2 (0.35) KDM1AKDM5AKDM5BHTR6HTR1A
SCHEMBL11933457 0.87 PTGDR2 (0.35) KDM1AKDM5AKDM5BHTR6HTR1A
SCHEMBL10301621 0.87 KDM1A (0.45) KDM1AHTR6SLC6A2SLC6A4SLC6A3

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 1622/4885KDM5A 3460/4885KDM4C 3156/4885

“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.