SCHEMBL21392019

SCHEMBL21392019

Cc1[nH]c2cccc(C)c2c1CCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 4/20 0.51
EGFR P00533 2/20 0.50
APEX1 P27695 1/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
SRC P12931 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
FFAR1 O14842 1/20 0.44
PARP1 P09874 1/20 0.43

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
SCHEMBL18509955 0.87 HTR2A (0.63) GPR17EGFRAPEX1KDM4EMAPT
SCHEMBL18509465 0.85 GPR17 (0.49) GPR17EGFRAPEX1KDM4EMAPT
SCHEMBL21392030 0.85 GPR17 (0.71) GPR17APEX1KDM4EMAPTALDH1A1
SCHEMBL20119998 0.85 GPR17 (0.49) GPR17EGFRAPEX1KDM4EMAPT
SCHEMBL25288592 0.85 GPR17 (0.49) GPR17EGFRKDM4EALDH1A1SRC
SCHEMBL9189938 0.85 GPR17 (0.71) GPR17KDM4EALDH1A1
SCHEMBL18509726 0.83 SLC2A1 (0.55) GPR17APEX1KDM4EMAPTALDH1A1
SCHEMBL18509959 0.83 GPR17 (0.47) GPR17EGFRAPEX1KDM4EMAPT
SCHEMBL19872789 0.83 GPR17 (0.52) GPR17EGFRAPEX1KDM4EMAPT
SCHEMBL19872732 0.82 GPR17 (0.49) GPR17EGFRAPEX1KDM4EMAPT

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-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

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 3494/4885APEX1 1022/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 GPR17 4789/4885EGFR 3494/4885APEX1 1022/4885

“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.