SCHEMBL13629316

SCHEMBL13629316

CCCCc1ccc2c(c1)c1cc(C=O)ccc1n2-c1ccc(N(c2ccc(-n3c4ccc(C=O)cc4c4cc(CCCC)ccc43)cc2)c2ccc(-n3c4ccc(C=O)cc4c4cc(CCCC)ccc43)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.40
RORA P35398 2/20 0.37
RORC P51449 2/20 0.37
RORB Q92753 2/20 0.37
PLA2G4A P47712 2/20 0.36
ALDH1A1 P00352 2/20 0.34
ALDH3A1 P30838 1/20 0.34
ALDH1A3 P47895 1/20 0.34
PGR P06401 2/20 0.33
MAPT P10636 1/20 0.33
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
SKP2 Q13309 1/20 0.31
COMT P21964 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
SCHEMBL21591023 0.85 RORA (0.48) RORARORCRORBPLA2G4AFAAH
SCHEMBL10123840 0.85 RORA (0.39) RORARORCRORBPLA2G4APGR
SCHEMBL10123768 0.84 RORA (0.38) RORARORCRORBPLA2G4APGR
SCHEMBL13629284 0.83 RORA (0.45) RORARORCRORBPLA2G4AALDH1A1
SCHEMBL21591020 0.82 RORA (0.46) RORARORCRORBPLA2G4AFAAH
SCHEMBL21594496 0.82 RORA (0.46) RORARORCRORBPLA2G4AFAAH
SCHEMBL31070053 0.82 RORA (0.46) RORARORCRORBPLA2G4AFAAH
SCHEMBL13629297 0.81 RORA (0.37) RORARORCRORBPLA2G4APGR
SCHEMBL13932489 0.81 RORA (0.44) RORARORCRORBPLA2G4AALDH1A1
SCHEMBL10123708 0.81 PLA2G4A (0.38) RORARORCRORBPLA2G4AALDH1A1

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-8343636-B2 Crosslinkable hole-transporting materials for organic light-emitting devices UNIVERSITY OF WASHINGTON (US) 2013-01-01 US disclosed
US-20090278445-A1 CROSSLINKABLE HOLE-TRANSPORTING MATERIALS FOR ORGANIC LIGHT-EMITTING DEVICES WASHINGTON, UNIVERSITY OF (US) 2009-11-12 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-20090278445-A1 CROSSLINKABLE HOLE-TRANSPORTING MATERIALS FOR ORGANIC LIGHT-EMITTING DEVICES SUN2, HTT, SLC29A1 PTGER4 2973/4885RORA 3497/4885RORC 3384/4885

“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.