SCHEMBL13629284

SCHEMBL13629284

CCCCc1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4cc(CCCC)ccc43)cc2)c2ccc(-n3c4ccccc4c4cc(CCCC)ccc43)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 2/20 0.45
RORC P51449 2/20 0.45
RORB Q92753 2/20 0.45
CNR2 P34972 3/20 0.41
FDFT1 P37268 2/20 0.41
PGR P06401 2/20 0.41
KDM4E B2RXH2 4/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLA2G4A P47712 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
MCHR2 Q969V1 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
SLC2A1 P11166 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL13932489 0.97 RORA (0.44) RORARORCRORBCNR2FDFT1
SCHEMBL13932498 0.94 RORA (0.41) RORARORCRORBCNR2FDFT1
SCHEMBL24004264 0.93 RORA (0.41) RORARORCRORBCNR2FDFT1
SCHEMBL10042901 0.92 KDM4E (0.44) RORARORCRORBPGRKDM4E
SCHEMBL13932488 0.92 KDM4E (0.44) RORARORCRORBPGRKDM4E
SCHEMBL14020654 0.90 RORA (0.43) RORARORCRORBCNR2PGR
SCHEMBL13932547 0.89 RORA (0.47) RORARORCRORBCNR2FDFT1
SCHEMBL10067556 0.89 RORA (0.47) RORARORCRORBCNR2FDFT1
SCHEMBL13776939 0.89 RORA (0.47) RORARORCRORBCNR2FDFT1
SCHEMBL13620181 0.89 HSD11B1 (0.42) RORARORCRORBPGRPLA2G4A

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 RORA 3497/4885RORC 3384/4885RORB 3701/4885

“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.