SCHEMBL13073464

SCHEMBL13073464

COC(=O)c1ccc(C(N)C(=O)O)cc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 6/20 0.69
▸ KDM4E B2RXH2 5/20 0.69
▸ ALDH1A1 P00352 5/20 0.69
▸ HPGD P15428 5/20 0.69
▸ GRM1 Q13255 4/20 0.69
▸ TDP1 Q9NUW8 4/20 0.69
▸ MEN1 O00255 3/20 0.69
▸ CYP2C9 P11712 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ GRM2 Q14416 2/20 0.69
▸ GAA P10253 2/20 0.57
▸ CA12 O43570 2/20 0.56
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56
▸ CA7 P43166 2/20 0.56
▸ CA9 Q16790 2/20 0.56
▸ CA14 Q9ULX7 2/20 0.56
▸ PDK2 Q15119 1/20 0.56
▸ PDK4 Q16654 1/20 0.56
▸ CYP2C19 P33261 2/20 0.55

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
SCHEMBL12648356 0.82 ALDH1A1 (1.00) HSD17B10KDM4EALDH1A1HPGDGRM1
SCHEMBL12648678 0.82 ALDH1A1 (1.00) HSD17B10KDM4EALDH1A1HPGDGRM1
SCHEMBL12648353 0.82 ALDH1A1 (1.00) HSD17B10KDM4EALDH1A1HPGDGRM1
SCHEMBL3164267 0.80 CA12 (0.62) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL9269593 0.78 CA12 (0.51) HSD17B10KDM4EALDH1A1HPGDGRM1
SCHEMBL19273251 0.78 CA12 (0.59) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL21366578 0.76 CA12 (0.57) KDM4EALDH1A1KMT2AGAACA12
SCHEMBL10723439 0.76 TDP1 (0.70) HSD17B10KDM4EALDH1A1HPGDGRM1
SCHEMBL449665 0.76 TDP1 (0.70) HSD17B10KDM4EALDH1A1HPGDGRM1
SCHEMBL3478437 0.76 TDP1 (0.70) HSD17B10KDM4EALDH1A1HPGDGRM1

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-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 — — 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-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS HSD17B10 2950/4885KDM4E 3796/4885ALDH1A1 4064/4885

“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.

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