SCHEMBL4733757

SCHEMBL4733757

O=C(O)c1cc(-c2cccc3ccccc23)cc2c1OCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.53
ACMSD Q8TDX5 1/20 0.53
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FABP4 P15090 7/20 0.43
PARP1 P09874 1/20 0.43
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
XDH P47989 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RORC P51449 1/20 0.40
FABP3 P05413 2/20 0.40
SERPINE1 P05121 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.38
CDC25B P30305 1/20 0.38
FABP5 Q01469 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
SCHEMBL4733527 0.85 XDH (0.44) MCL1ACMSDFABP4PARP1XDH
SCHEMBL4737377 0.84 MCL1 (0.54) MCL1ACMSDMEN1KMT2ANR4A1
SCHEMBL4738771 0.82 ACMSD (0.51) ACMSDFABP4PARP1XDHSLC22A12
SCHEMBL4734867 0.82 PARP1 (0.55) FABP4PARP1XDHSLC22A12RORC
SCHEMBL4738866 0.82 MCL1 (0.51) MCL1FABP4PARP1XDHSLC22A12
SCHEMBL4785932 0.80 ACMSD (0.49) MCL1ACMSDFABP4PARP1XDH
SCHEMBL4733980 0.80 PTGER2 (0.45) XDHSLC22A12
SCHEMBL4734718 0.80 ACMSD (0.54) MCL1ACMSDMEN1KMT2AFABP4
SCHEMBL4646908 0.79 CA12 (0.37) MCL1ACMSDFABP4PARP1
SCHEMBL4736656 0.77 IKBKB (0.47) MEN1KMT2APARP1XDHSLC22A12

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 MCL1 3416/4885ACMSD 2028/4885MEN1 420/4885

“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.