SCHEMBL3017316

SCHEMBL3017316

CSCCCOc1ccc2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
HPGD P15428 3/20 0.60
HSD17B10 Q99714 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C9 P11712 2/20 0.60
SRD5A2 P31213 1/20 0.60
KMT2A Q03164 2/20 0.54
PLA2G4A P47712 1/20 0.54
PDGFRB P09619 6/20 0.52
PDGFRA P16234 6/20 0.52
PIN1 Q13526 1/20 0.50
XDH P47989 1/20 0.48
SMAD3 P84022 1/20 0.48
FLT3 P36888 2/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
PDPK1 O15530 1/20 0.47

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
SCHEMBL3017321 0.94 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL4369016 0.87 PLA2G4A (0.67) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL13174431 0.84 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL4360657 0.84 PLA2G4A (0.68) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL1144832 0.84 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL2767179 0.84 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL4816031 0.83 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL3033147 0.82 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL9816433 0.81 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL4371734 0.81 PDGFRB (0.71) KDM4EALDH1A1HPGDHSD17B10CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 KDM4E 1070/4885ALDH1A1 348/4885HPGD 824/4885

“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.