SCHEMBL4736656

SCHEMBL4736656

O=C(O)c1cc(-c2cc3ccccc3o2)cc2c1OCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.47
CHUK O15111 1/20 0.47
MAOB P27338 3/20 0.45
CA1 P00915 2/20 0.45
CA9 Q16790 2/20 0.45
CA12 O43570 1/20 0.45
CA3 P07451 1/20 0.45
TSHR P16473 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
GPR35 Q9HC97 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL4648611 0.80 CA2 (0.43) IKBKBCHUKMAOBCA1CA9
SCHEMBL4734718 0.79 ACMSD (0.54) TSHRMEN1KMT2ASMN1; SMN2PARP1
SCHEMBL4785932 0.77 ACMSD (0.49) PARP1PTPN1XDHSLC22A12
SCHEMBL4733527 0.77 XDH (0.44) PARP1PTPN1XDHSLC22A12
SCHEMBL4733757 0.77 MCL1 (0.53) KDM4EALDH1A1MEN1KMT2APARP1
SCHEMBL4736169 0.75 ACLY (0.44) IKBKBCA1CA9CA12CA4
SCHEMBL4738863 0.74 PIK3CA (0.48) CA1CA9CA12SMN1; SMN2PARP1
SCHEMBL4734867 0.73 PARP1 (0.55) NPC1RAB9APARP1XDHSLC22A12
SCHEMBL4738771 0.73 ACMSD (0.51) GPR35NPC1RAB9APARP1MAOA
SCHEMBL4738866 0.73 MCL1 (0.51) PARP1XDHSLC22A12

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 3 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

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 IKBKB 4440/4885CHUK 3579/4885MAOB 119/4885

“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.