SCHEMBL4735237

SCHEMBL4735237

N#Cc1ccc(-c2cc3c(c(C(=O)O)c2)OCC3)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.59
SLC22A12 Q96S37 4/20 0.59
PARP1 P09874 2/20 0.40
EIF4EBP1 Q13541 1/20 0.39
MAP4K4 O95819 1/20 0.38
FABP4 P15090 3/20 0.37
EIF4E P06730 1/20 0.37
HSD17B3 P37058 1/20 0.37
MYC P01106 1/20 0.37
PTGER4 P35408 1/20 0.36
MMP2 P08253 1/20 0.36
ADRB3 P13945 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
SCHEMBL4739410 0.86 XDH (0.53) XDHSLC22A12PARP1EIF4EBP1FABP4
SCHEMBL4734197 0.84 XDH (0.47) XDHSLC22A12PARP1EIF4EBP1FABP4
SCHEMBL4735319 0.83 XDH (0.48) XDHSLC22A12PARP1FABP4
SCHEMBL4734731 0.83 XDH (0.46) XDHSLC22A12MAP4K4PTGER4MMP2
SCHEMBL1510051 0.82 XDH (0.44) XDHSLC22A12PARP1EIF4EBP1FABP4
SCHEMBL4733776 0.82 PARP1 (0.52) XDHSLC22A12PARP1FABP4
SCHEMBL4736983 0.82 XDH (0.44) XDHSLC22A12PARP1EIF4EBP1FABP4
SCHEMBL4733740 0.82 MCL1 (0.49) XDHSLC22A12PARP1FABP4
SCHEMBL4735090 0.80 XDH (0.43) XDHSLC22A12PARP1FABP4EIF4E
SCHEMBL4785932 0.80 ACMSD (0.49) XDHSLC22A12PARP1FABP4

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 XDH 2848/4885SLC22A12 2654/4885PARP1 1061/4885

“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.