SCHEMBL2511031

SCHEMBL2511031

CCOc1ccc(-c2ccc(C3CCC(=COC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.35
ALOX5AP P20292 4/20 0.32
FEN1 P39748 4/20 0.32
HTR2A P28223 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
KDM1A O60341 2/20 0.30
FGFR1 P11362 1/20 0.30
FGFR2 P21802 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
SCHEMBL1243195 0.95 HTR2A (0.33) FPR2HTR2AKDM1A
SCHEMBL11894899 0.88 KDM1A (0.30) KDM1A
SCHEMBL425527 0.85 SCN9A (0.35) FPR2HTR2A
SCHEMBL15381624 0.84 FPR2 (0.39) FPR2ALOX5APFEN1KDM1AFGFR1
SCHEMBL2509893 0.83 FPR2 (0.33) FPR2HTR2AS1PR1
SCHEMBL2506935 0.82 HCRTR2 (0.36) FPR2ALOX5APFEN1S1PR1S1PR3
SCHEMBL12836535 0.82 FPR2 (0.43) FPR2ALOX5APFEN1
SCHEMBL11933110 0.81 FPR2 (0.38) FPR2ALOX5APFEN1KDM1AFGFR1
SCHEMBL28479340 0.81 KDM1A (0.33) HTR2AKDM1A
SCHEMBL19986372 0.80 PTGDR2 (0.40) FPR2ALOX5APFEN1

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-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 US disclosed
US-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-10-06 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-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE NCAPD3, CCND3, ZKSCAN2 FPR2 1970/4885ALOX5AP 1073/4885FEN1 3903/4885

“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.