SCHEMBL13228992

SCHEMBL13228992

Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc(-c3cccc4c3oc3ccccc34)c3ccc4ccc(-c5cccc6c5oc5ccccc56)c5ccc2c3c45)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
PRKDC P78527 6/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
ATM Q13315 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30
POLB P06746 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
SCHEMBL13953623 0.85 ALOX5 (0.39) ALOX5PRKDCPIK3CDPIK3CBATM
SCHEMBL13228979 0.85 MAOA (0.36) ATMMAOAMAOBMAPT
SCHEMBL13228985 0.85 MAOA (0.36) ATMMAOAMAOBMAPT
SCHEMBL9920849 0.83 ALOX5 (0.45) ALOX5PRKDCPIK3CDPIK3CBMAOA
SCHEMBL13872456 0.83 ALOX5 (0.45) ALOX5PRKDCPIK3CDPIK3CBMAOA
SCHEMBL9920785 0.82 ALOX5 (0.49) ALOX5PRKDCPIK3CDPIK3CBATM
SCHEMBL13228980 0.82 ALDH1A1 (0.31) KDM4E
SCHEMBL9920852 0.81 ALOX5 (0.48) ALOX5PRKDCPIK3CDPIK3CBATM
SCHEMBL9920847 0.81 ALOX5 (0.48) ALOX5PRKDCPIK3CDPIK3CBATM
SCHEMBL9920770 0.81 ALOX5 (0.48) ALOX5PRKDCPIK3CDPIK3CBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729530-B2 Material for light-emitting device and light-emitting device TORAY INDUSTRIES, INC. (JP) 2014-05-20 US disclosed
US-8729530-B2 Material for light-emitting device and light-emitting device TORAY INDUSTRIES, INC. (JP) 2014-05-20 US disclosed
US-20100163852-A1 Material for light-emitting device and light-emitting device TORAY INDUSTRIES, INC. (JP) 2010-07-01 US disclosed
US-20100163852-A1 Material for light-emitting device and light-emitting device TORAY INDUSTRIES, INC. (JP) 2010-07-01 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-20100163852-A1 Material for light-emitting device and light-emitting device CRY1, CRY2, S100A10 ALOX5 1466/4885PRKDC 4636/4885PIK3CD 4798/4885

“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.