SCHEMBL21392030

SCHEMBL21392030

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

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 5/20 0.71
FBP1 P09467 1/20 0.49
MCL1 Q07820 3/20 0.47
APEX1 P27695 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
FFAR1 O14842 1/20 0.44
KRAS P01116 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
SCHEMBL21392019 0.85 GPR17 (0.51) GPR17APEX1KDM4EALDH1A1GAA
SCHEMBL18509955 0.84 HTR2A (0.63) GPR17MCL1APEX1KDM4EALDH1A1
SCHEMBL18509465 0.83 GPR17 (0.49) GPR17APEX1KDM4EALDH1A1GAA
SCHEMBL20119998 0.83 GPR17 (0.49) GPR17APEX1KDM4EALDH1A1GAA
SCHEMBL29062863 0.83 GPR17 (0.71) GPR17FBP1MCL1KDM4EALDH1A1
SCHEMBL19872732 0.82 GPR17 (0.49) GPR17APEX1KDM4EALDH1A1GAA
SCHEMBL4562210 0.82 ALDH1A1 (0.57) GPR17MCL1KDM4EALDH1A1HTR2A
SCHEMBL19872789 0.81 GPR17 (0.52) GPR17FBP1APEX1KDM4EALDH1A1
SCHEMBL18509726 0.81 SLC2A1 (0.55) GPR17APEX1KDM4EALDH1A1GAA
SCHEMBL18509959 0.81 GPR17 (0.47) GPR17APEX1KDM4EALDH1A1GAA

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 4789/4885FBP1 1041/4885MCL1 3164/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 GPR17 4789/4885FBP1 1041/4885MCL1 3164/4885

“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.