SCHEMBL4737359

SCHEMBL4737359

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.49
DCLRE1B Q9H816 1/20 0.48
XDH P47989 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
PDE4B Q07343 1/20 0.40
FABP4 P15090 4/20 0.39
GPR35 Q9HC97 2/20 0.39
DHODH Q02127 1/20 0.39
FABP3 P05413 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
KDM4C Q9H3R0 2/20 0.38
MAP4K4 O95819 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 0.88 ACMSD (0.49) PARP1DCLRE1BXDHSLC22A12FABP4
SCHEMBL4733776 0.85 PARP1 (0.52) PARP1XDHSLC22A12FABP4FABP3
SCHEMBL4739567 0.84 DCLRE1B (0.48) PARP1DCLRE1BXDHSLC22A12PDE4B
SCHEMBL4736790 0.84 MCL1 (0.52) PARP1XDHSLC22A12FABP4FABP3
SCHEMBL4739488 0.84 MAPT (0.53) PARP1FABP4DHODHFABP3PARP10
SCHEMBL4738907 0.83 PARP1 (0.50) PARP1XDHSLC22A12FABP4DHODH
SCHEMBL4737775 0.83 CTNNB1 (0.49) DCLRE1BNR4A1NR4A2NR4A3GPR35
SCHEMBL4641393 0.82 DHODH (0.47) PARP1GPR35DHODHAKR1C2
SCHEMBL4738021 0.82 PARP10 (0.44) PARP1XDHSLC22A12FABP4PARP10
SCHEMBL4735858 0.82 ACMSD (0.54) PARP1XDHSLC22A12FABP4DHODH

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 1061/4885DCLRE1B 4457/4885XDH 2848/4885

“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.