SCHEMBL4735591

SCHEMBL4735591

O=C(O)c1cc(-c2cccnc2)cc2c1OCCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.56
CYP11B1 P15538 3/20 0.56
KMO O15229 2/20 0.47
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
DHODH Q02127 1/20 0.43
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4C Q9H3R0 3/20 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
SCHEMBL4738529 0.83 ROCK2 (0.43) DHODHNPC1RAB9ACTNNB1WNT3A
SCHEMBL4737367 0.83 ACMSD (0.47) NPC1RAB9ANPSR1KDM4ELMNA
SCHEMBL4735875 0.81 ACMSD (0.50) KMODHODHNPC1RAB9ANPSR1
SCHEMBL4736975 0.78 DHODH (0.43) DHODHNPC1RAB9ACTNNB1NPSR1
SCHEMBL4735844 0.77 AKR1C2 (0.52) KMODHODHNPC1RAB9ACTNNB1
SCHEMBL4735827 0.77 MCL1 (0.54) MKNK2PIM1NPC1RAB9ACTNNB1
SCHEMBL4737775 0.77 CTNNB1 (0.49) KMODHODHNPC1RAB9ACTNNB1
SCHEMBL4736941 0.77 DCLRE1B (0.46) KMONPC1RAB9ANPSR1KDM4E
SCHEMBL4736575 0.77 MCL1 (0.60) NPC1RAB9AKDM4ELMNAALDH1A1
SCHEMBL4785991 0.76 KDM4E (0.45) DHODHNPC1RAB9ANPSR1KDM4E

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 CYP11B2 745/4885CYP11B1 750/4885KMO 154/4885

“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.