SCHEMBL4472628

SCHEMBL4472628

COC(=O)/C=C/c1cc2ccccc2cc1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
KDM4E B2RXH2 5/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 7/20 0.48
HPGD P15428 4/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
BACE1 P56817 1/20 0.43

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
SCHEMBL4472635 1.00 CCNC (0.50) CCNCCDK8KDM4EKMT2ASMN1; SMN2
SCHEMBL4463860 0.88 ALDH1A1 (0.51) CCNCCDK8KDM4EKMT2ASMN1; SMN2
SCHEMBL4463865 0.88 ALDH1A1 (0.51) CCNCCDK8KDM4EKMT2ASMN1; SMN2
SCHEMBL30424360 0.82 CYP1A2 (0.52) KDM4EKMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL10489559 0.81 BACE1 (0.61) KDM4EKMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL1133142 0.81 BACE1 (0.61) KDM4EKMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL13473596 0.81 ALDH1A1 (0.50) KDM4EKMT2AALDH1A1HPGDMAPT
SCHEMBL28016713 0.80 KDM4E (0.49) KDM4EKMT2AALDH1A1HPGDMAPT
SCHEMBL4651136 0.79 MAPT (0.51) KDM4EKMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL4651140 0.79 MAPT (0.51) KDM4EKMT2ASMN1; SMN2ALDH1A1HPGD

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-7572805-B2 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 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-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands HTR2B, OPRD1, HTR1B CCNC 2751/4885CDK8 4627/4885KDM4E 2789/4885

“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.