SCHEMBL4733776

SCHEMBL4733776

O=C(O)c1cc(-c2ccc(F)cc2)cc2c1OCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.52
XDH P47989 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
FABP4 P15090 5/20 0.39
FABP3 P05413 2/20 0.39
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DHFR P00374 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 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
SCHEMBL4735319 0.87 XDH (0.48) PARP1XDHSLC22A12FABP4FABP3
SCHEMBL4733740 0.86 MCL1 (0.49) PARP1XDHSLC22A12NPC1RAB9A
SCHEMBL4736983 0.86 XDH (0.44) PARP1XDHSLC22A12NPC1RAB9A
SCHEMBL4737359 0.85 PARP1 (0.49) PARP1XDHSLC22A12FABP4FABP3
SCHEMBL4733773 0.85 MAPT (0.45) PARP1XDHSLC22A12NPC1MAPT
SCHEMBL4735090 0.83 XDH (0.43) PARP1XDHSLC22A12MAPTFABP4
SCHEMBL4785932 0.83 ACMSD (0.49) PARP1XDHSLC22A12FABP4FABP3
SCHEMBL1510051 0.83 XDH (0.44) PARP1XDHSLC22A12MAPTFABP4
SCHEMBL4736525 0.82 XDH (0.42) PARP1XDHSLC22A12FABP4FABP3
SCHEMBL4735237 0.82 XDH (0.59) PARP1XDHSLC22A12FABP4

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 1061/4885XDH 2848/4885SLC22A12 2654/4885

“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.