SCHEMBL20045090

SCHEMBL20045090

Cc1ccc(CC(=O)O)cc1CN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.47
HSD17B10 Q99714 5/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 3/20 0.47
TSHR P16473 3/20 0.47
NFKB1 P19838 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
RGS12 O14924 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
THPO P40225 1/20 0.47
BLM P54132 1/20 0.47
GNAI1 P63096 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC22A12 Q96S37 2/20 0.47
ALDH1A1 P00352 5/20 0.45
PTGS1 P23219 1/20 0.44

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
SCHEMBL28192545 0.86 KDM4E (0.47) HPGDHSD17B10KDM4EMAPTGAA
SCHEMBL20045097 0.85 HPGD (0.50) HPGDHSD17B10KDM4EMAPTGAA
SCHEMBL15862189 0.83 GAA (0.52) HPGDHSD17B10KDM4EMAPTGAA
SCHEMBL12642898 0.81 ALDH1A1 (0.51) HPGDHSD17B10KDM4EMAPTGAA
SCHEMBL2623695 0.80 GAA (0.63) HPGDHSD17B10KDM4EMAPTGAA
SCHEMBL31422415 0.79 SLC22A12 (0.45) HPGDHSD17B10KDM4EMAPTGAA
SCHEMBL969589 0.79 HPGD (0.55) HPGDHSD17B10KDM4EMAPTGAA
SCHEMBL27809841 0.79 KDM4E (0.47) HPGDHSD17B10KDM4EMAPTGAA
SCHEMBL2332010 0.79 SLC22A12 (0.44) HPGDHSD17B10KDM4EMAPTGAA
SCHEMBL2221947 0.78 TAAR1 (0.43) GAA

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-20180098952-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA NORTHWESTERN UNIVERSITY (US) 2018-04-12 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-20180098952-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA OAT, OTC, ABAT HPGD 562/4885HSD17B10 705/4885KDM4E 2714/4885

“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.