SCHEMBL4369016

SCHEMBL4369016

CCCCOc1ccc2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.67
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 4/20 0.65
HPGD P15428 3/20 0.65
HSD17B10 Q99714 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
SRD5A2 P31213 1/20 0.65
KMT2A Q03164 1/20 0.59
PDGFRB P09619 6/20 0.56
PDGFRA P16234 6/20 0.56
MAPT P10636 1/20 0.56
PIN1 Q13526 1/20 0.55
SMAD3 P84022 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
XDH P47989 1/20 0.52

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
SCHEMBL4360657 0.97 PLA2G4A (0.68) PLA2G4AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1144832 0.94 KDM4E (0.65) PLA2G4AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6469163 0.89 KDM4E (0.60) PLA2G4AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL13174431 0.89 KDM4E (0.62) PLA2G4AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL24076666 0.89 PLA2G4A (0.55) PLA2G4AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2767179 0.89 KDM4E (0.65) PLA2G4AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4371734 0.88 PDGFRB (0.71) PLA2G4AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4816031 0.87 KDM4E (0.64) PLA2G4AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3033147 0.87 KDM4E (0.67) PLA2G4AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3017316 0.87 KDM4E (0.60) PLA2G4AKDM4EALDH1A1HPGDHSD17B10

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
WO-2009063495-A2 SUBSTITUTED INDOLE AND ITS DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2009-05-22 WO claimed
WO-2009063495-A2 SUBSTITUTED INDOLE AND ITS DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2009-05-22 WO disclosed
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 US disclosed
WO-2004101767-A2 CBI ANALOGUES OF THE DUOCARMYCINS AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2004-11-25 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-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK PLA2G4A 2480/4885KDM4E 1508/4885ALDH1A1 4597/4885

“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.