SCHEMBL3949243

SCHEMBL3949243

CCn1ccc2cc(OC)c(OC)cc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNF P01375 7/20 0.64
PSMB2 P49721 7/20 0.55
PSMB5 P28074 7/20 0.55
PSMB1 P20618 6/20 0.53
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE10A Q9Y233 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL23797295 0.88 TNF (0.52) TNFPSMB2PSMB5PSMB1KDM4E
SCHEMBL16432070 0.88 TNF (0.52) TNFPSMB2PSMB5PSMB1KDM4E
SCHEMBL16432480 0.79 TNF (0.45) TNFPSMB2PSMB5PSMB1KDM4E
SCHEMBL23781066 0.79 TNF (0.45) TNFPSMB2PSMB5PSMB1KDM4E
SCHEMBL16328854 0.78 TNF (0.53) TNFPSMB2PSMB5PSMB1KDM4E
SCHEMBL6189205 0.78 TNF (0.74) TNFPSMB2PSMB5PSMB1
SCHEMBL19675236 0.77 TNF (0.49) TNFPSMB2PSMB5PSMB1KDM4E
SCHEMBL28039279 0.77 TNF (0.49) TNFPSMB2PSMB5PSMB1KDM4E
SCHEMBL9393331 0.74 KDM4E (0.59) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL23729375 0.73 HTR2A (0.41) TNFPSMB5PSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009029214-A1 ISOQUINOLONE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2009-03-05 WO disclosed
US-20090054434-A1 ISOQUINOLONE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2009-02-26 US disclosed
WO-1994027969-A1 ISOQUINOLINETRIONE DERIVATIVES AS HERBICIDES ZENECA LIMITED (GB) 1994-12-08 WO 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-20090054434-A1 ISOQUINOLONE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE5A, PDE4A, PDE4B TNF 2097/4885PSMB2 3788/4885PSMB5 1454/4885

“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.