SCHEMBL4735867

SCHEMBL4735867

CCNC(=O)c1cccc(-c2cc3c(c(C(=O)O)c2)OCCO3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.43
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
HPGD P15428 4/20 0.40
RAB9A P51151 3/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
NPC1 O15118 2/20 0.39
KLF5 Q13887 1/20 0.39
AURKA O14965 1/20 0.39
TP53 P04637 1/20 0.38
GLA P06280 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
SCHEMBL4800777 0.88 HSD17B10 (0.51) EPHX2NR1H4HPGDRAB9AHSD17B10
SCHEMBL4786603 0.87 PLK1 (0.49) CDK8NPC1MEN1KMT2A
SCHEMBL4737354 0.83 KDM4E (0.43) HPGDRAB9AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4740763 0.82 HPGD (0.48) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL4738875 0.81 NPC1 (0.39) NR1H4HPGDRAB9AHSD17B10ALDH1A1
SCHEMBL4740758 0.81 DHODH (0.46)
SCHEMBL4734312 0.81 NPC1 (0.53) HPGDRAB9AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4735875 0.79 ACMSD (0.50) HPGDRAB9AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4735844 0.78 AKR1C2 (0.52) HPGDRAB9AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4733524 0.78 MTNR1A (0.50) HPGDRAB9AHSD17B10

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 CDK8 2673/4885EPHX2 2783/4885NR1H4 535/4885

“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.