SCHEMBL4642333

SCHEMBL4642333

O=C(O)c1cc(-c2ccc3c(c2)OCO3)cc2c1OCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.46
TP53 P04637 2/20 0.45
DHODH Q02127 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MC4R P32245 1/20 0.43
PPARG P37231 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NCOR2 Q9Y618 1/20 0.43

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
SCHEMBL4736272 0.85 KDM4E (0.52) CTNNB1TP53DHODHALDH1A1MAPK1
SCHEMBL4735319 0.81 XDH (0.48) DHODHHSD17B10XDHSLC22A12FABP4
SCHEMBL4733776 0.80 PARP1 (0.52) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL4733740 0.80 MCL1 (0.49) TP53DHODHALDH1A1KDM4ENPSR1
SCHEMBL4736983 0.80 XDH (0.44) DHODHNPC1RAB9AXDHSLC22A12
SCHEMBL4785932 0.80 ACMSD (0.49) DHODHXDHSLC22A12FABP4FABP3
SCHEMBL4734718 0.79 ACMSD (0.54) TP53SMN1; SMN2KMT2AMEN1XDH
SCHEMBL4648666 0.78 CA12 (0.45) CHEK2ADORA3ADORA1CA12CA2
SCHEMBL4640351 0.78 ALDH1A1 (0.49) ALDH1A1MAPK1KDM4EHPGDNPC1
SCHEMBL4735090 0.77 XDH (0.43) KDM4ESMN1; SMN2XDHSLC22A12FABP4

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 6 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
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP 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
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP 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 CTNNB1 4751/4885TP53 4376/4885DHODH 3192/4885

“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.