SCHEMBL18509728

SCHEMBL18509728

Cc1[nH]c2cc(-c3ccccc3)ccc2c1CCC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 11/20 0.72
EGFR P00533 3/20 0.52
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TNKS2 Q9H2K2 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
APEX1 P27695 1/20 0.50
PDGFRB P09619 1/20 0.49
FGFR1 P11362 1/20 0.49
KDR P35968 1/20 0.49
SRC P12931 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
SCHEMBL18509485 0.89 GPR17 (0.57) GPR17EGFRKDM4EALDH1A1GAA
SCHEMBL20120181 0.88 GPR17 (0.57) GPR17EGFRAPEX1
SCHEMBL14739168 0.84 GPR17 (1.00) GPR17KDM4EALDH1A1
SCHEMBL18509428 0.83 EGFR (0.72) GPR17EGFRKDM4EALDH1A1GAA
SCHEMBL1740428 0.83 ALDH1A1 (0.71) EGFRKDM4EALDH1A1GAAMAPT
SCHEMBL30343681 0.83 ALDH1A1 (0.71) EGFRKDM4EALDH1A1GAAMAPT
SCHEMBL20935027 0.82 EGFR (0.56) GPR17EGFRKDM4EALDH1A1GAA
SCHEMBL23226279 0.81 GPR17 (0.71) GPR17EGFRAPEX1
SCHEMBL15463529 0.81 GPR17 (0.67) GPR17EGFRKDM4EALDH1A1TNKS2
SCHEMBL20935034 0.78 EGFR (0.55) GPR17EGFRKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 US disclosed
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 US disclosed
WO-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 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 (2 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-11078467-B2 Highly active self-sufficient nitration biocatalysts POR, CYP4F3, CBR3 GPR17 4789/4885EGFR 3494/4885KDM4E 2974/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 GPR17 4789/4885EGFR 3494/4885KDM4E 2974/4885

“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.