SCHEMBL4738907

SCHEMBL4738907

NC(=O)c1cccc(-c2cc3c(c(C(=O)O)c2)OCC3)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.50
DHODH Q02127 6/20 0.46
PRF1 P14222 1/20 0.43
TDP2 O95551 1/20 0.43
FABP4 P15090 3/20 0.42
ERN1 O75460 2/20 0.39
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
CYP11B2 P19099 1/20 0.39
KMO O15229 1/20 0.39

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
SCHEMBL4738021 0.89 PARP10 (0.44) PARP1TDP2FABP4XDHSLC22A12
SCHEMBL4785932 0.87 ACMSD (0.49) PARP1DHODHFABP4XDHSLC22A12
SCHEMBL4736790 0.86 MCL1 (0.52) PARP1PRF1FABP4XDHSLC22A12
SCHEMBL4740758 0.85 DHODH (0.46) DHODHPRF1ERN1KMO
SCHEMBL4737359 0.83 PARP1 (0.49) PARP1DHODHFABP4XDHSLC22A12
SCHEMBL4739567 0.83 DCLRE1B (0.48) PARP1FABP4XDHSLC22A12
SCHEMBL4641393 0.81 DHODH (0.47) PARP1DHODH
SCHEMBL4735858 0.81 ACMSD (0.54) PARP1DHODHFABP4XDHSLC22A12
SCHEMBL4739488 0.80 MAPT (0.53) PARP1DHODHFABP4KMO
SCHEMBL4739410 0.80 XDH (0.53) PARP1PRF1FABP4XDHSLC22A12

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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 PARP1 1061/4885DHODH 3192/4885PRF1 2955/4885

“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.