SCHEMBL22082811

SCHEMBL22082811

C=CC(OCc1ccccc1)C(/C=C/CCCO)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.36
EPHX2 P34913 1/20 0.36
RCE1 Q9Y256 1/20 0.36
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
IDO1 P14902 1/20 0.33
SELP P16109 2/20 0.32
AGXT P21549 1/20 0.32
HTT P42858 1/20 0.32
RRM1 P23921 1/20 0.31
TGM2 P21980 1/20 0.31
TSHR P16473 2/20 0.31
TOP1 P11387 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
SCHEMBL17679381 0.85 RCE1 (0.39) RCE1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL16308015 0.81 MAOB (0.44) RCE1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL17679379 0.80 ALDH1A1 (0.40) RCE1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL17679382 0.80 RCE1 (0.39) RCE1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL17679383 0.78 TSHR (0.41) RCE1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL17679390 0.78 RCE1 (0.50) RCE1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL17679388 0.77 ALDH1A1 (0.41) RCE1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL16308018 0.76 RCE1 (0.38) RCE1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL16308013 0.76 FAAH (0.45) EPHX2MEN1KMT2ASELP
SCHEMBL20582755 0.76 FAAH (0.45) EPHX2MEN1KMT2ASELP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200181455-A1 NANO-ADHESIVE AND SURFACE PRIMER COMPOUND AND USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-06-11 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-20200181455-A1 NANO-ADHESIVE AND SURFACE PRIMER COMPOUND AND USE THEREOF CDH1, EPCAM, ICAM1 LTA4H 719/4885EPHX2 349/4885RCE1 3167/4885

“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.