SCHEMBL4734718

SCHEMBL4734718

O=C(O)c1cc(-c2ccc3ccccc3c2)cc2c1OCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.54
FTO Q9C0B1 1/20 0.43
XDH P47989 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
PARP1 P09874 2/20 0.41
CYP1A2 P05177 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
SOS1 Q07889 1/20 0.40
FABP4 P15090 6/20 0.39
FABP3 P05413 3/20 0.39
FABP5 Q01469 3/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DHFR P00374 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) ACMSDXDHSLC22A12PARP1FABP4
SCHEMBL4739374 0.83 MCL1 (0.59) XDHSLC22A12MEN1KMT2AMCL1
SCHEMBL4734202 0.83 ACMSD (0.55) ACMSDFTOCYP1A2HIF1ACYP2D6
SCHEMBL4738863 0.82 PIK3CA (0.48) PARP1CYP1A2HIF1ATP53SMN1; SMN2
SCHEMBL4735319 0.81 XDH (0.48) ACMSDXDHSLC22A12PARP1FABP4
SCHEMBL4733740 0.80 MCL1 (0.49) FTOXDHSLC22A12PARP1FABP4
SCHEMBL4736983 0.80 XDH (0.44) FTOXDHSLC22A12PARP1FABP4
SCHEMBL4733776 0.80 PARP1 (0.52) ACMSDXDHSLC22A12PARP1HIF1A
SCHEMBL4733527 0.80 XDH (0.44) ACMSDXDHSLC22A12PARP1FABP4
SCHEMBL4641393 0.80 DHODH (0.47) PARP1SMN1; SMN2

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 2028/4885FTO 1681/4885XDH 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.