SCHEMBL13853759

SCHEMBL13853759

CN(CCOc1ccc2[nH]c(C(=O)O)cc2c1)CCOc1ccc2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 6/20 0.63
PDGFRA P16234 6/20 0.63
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
HPGD P15428 2/20 0.61
HSD17B10 Q99714 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
SRD5A2 P31213 1/20 0.61
FLT3 P36888 1/20 0.60
KMT2A Q03164 2/20 0.56
PLA2G4A P47712 1/20 0.52
PIN1 Q13526 1/20 0.51
KDR P35968 1/20 0.51
XDH P47989 1/20 0.49
SMAD3 P84022 1/20 0.49
TSHR P16473 2/20 0.48
F7 P08709 1/20 0.48
F3 P13726 1/20 0.48
PDPK1 O15530 1/20 0.48

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
SCHEMBL3553669 0.92 PDGFRB (0.74) PDGFRBPDGFRAKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL3559507 0.91 PDGFRB (0.72) PDGFRBPDGFRAKDM4EALDH1A1HPGD
SCHEMBL13596581 0.90 PDGFRB (0.55) PDGFRBPDGFRAKDM4EALDH1A1HPGD
SCHEMBL13853757 0.90 PDGFRB (0.63) PDGFRBPDGFRAKDM4EALDH1A1HPGD
SCHEMBL13853541 0.88 PDGFRB (0.62) PDGFRBPDGFRAKDM4EALDH1A1HPGD
SCHEMBL15223903 0.85 PDGFRB (0.65) PDGFRBPDGFRAKDM4EALDH1A1HPGD
SCHEMBL13853762 0.85 KDM4E (0.67) PDGFRBPDGFRAKDM4EALDH1A1HPGD
SCHEMBL4369016 0.85 PLA2G4A (0.67) PDGFRBPDGFRAKDM4EALDH1A1HPGD
SCHEMBL1144832 0.85 KDM4E (0.65) PDGFRBPDGFRAKDM4EALDH1A1HPGD
SCHEMBL15223793 0.84 PDGFRB (0.57) PDGFRBPDGFRAKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118349-A1 BIS-ALKYLATING AGENTS AND THEIR USE IN CANCER THERAPY ONCO-PHARMAKON INCORPORATED (US) 2009-05-07 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-20090118349-A1 BIS-ALKYLATING AGENTS AND THEIR USE IN CANCER THERAPY UNG, MPG, DIMT1 PDGFRB 4344/4885PDGFRA 4139/4885KDM4E 534/4885

“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.