SCHEMBL4735858

SCHEMBL4735858

O=C(O)c1cc(-c2cccc(CO)c2)cc2c1OCC2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 3/20 0.54
DHODH Q02127 1/20 0.45
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
PARP1 P09874 2/20 0.43
PTGER4 P35408 6/20 0.42
FABP4 P15090 3/20 0.40
CYP11B2 P19099 1/20 0.39
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
PRKCI P41743 1/20 0.38
FOLH1 Q04609 1/20 0.38

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
SCHEMBL4785932 0.85 ACMSD (0.49) ACMSDDHODHPARP1FABP4XDH
SCHEMBL4736167 0.84 ACMSD (0.56) ACMSDDHODHIKBKBCHUKPTGER4
SCHEMBL4739567 0.82 DCLRE1B (0.48) IKBKBCHUKPARP1FABP4XDH
SCHEMBL4736790 0.82 MCL1 (0.52) ACMSDIKBKBPARP1FABP4XDH
SCHEMBL4737359 0.82 PARP1 (0.49) DHODHPARP1FABP4XDHSLC22A12
SCHEMBL4738907 0.81 PARP1 (0.50) DHODHPARP1FABP4CYP11B2XDH
SCHEMBL4733527 0.80 XDH (0.44) ACMSDPARP1FABP4XDHSLC22A12
SCHEMBL4738021 0.80 PARP10 (0.44) PARP1FABP4XDHSLC22A12
SCHEMBL4641393 0.80 DHODH (0.47) DHODHIKBKBPARP1
SCHEMBL4739488 0.79 MAPT (0.53) DHODHPARP1FABP4

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 ACMSD 2028/4885DHODH 3192/4885IKBKB 4440/4885

“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.