SCHEMBL17933645

SCHEMBL17933645

COC(=O)CC(O)(CC(=O)CO)C(=O)CO

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TET2 Q6N021 1/20 0.31
RECQL P46063 2/20 0.31
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL26316809 0.85 TSHR (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL23331 0.70 ALDH1A1 (0.52) TSHRHSD17B10MGAMGAASI
SCHEMBL168730 0.70 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL1812866 0.69 TSHR (0.39) TSHRHSD17B10MGAMGAASI
Hydrazine SCHEMBL10719016 0.69 ALDH1A1 (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL18120860 0.69 LMNA (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL18120859 0.69 ALDH1A1 (0.41) TSHRHSD17B10MGAMGAASI
Ammonia Solution, Strong SCHEMBL28693679 0.69 ALDH1A1 (0.50) TSHRHSD17B10MGAMGAASI
Ammonia Solution, Strong SCHEMBL28166385 0.69 TSHR (0.42) TSHRHSD17B10MGAMGAASI
Hydrochloric Acid SCHEMBL28412186 0.69 ALDH1A1 (0.50) TSHRHSD17B10MGAMGAASI

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-20160206534-A1 ANTIPERSPIRANT COSMETIC AGENTS HAVING POLYCARBOXYLIC ACIDS HENKEL AG & CO. KGAA (DE) 2016-07-21 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-20160206534-A1 ANTIPERSPIRANT COSMETIC AGENTS HAVING POLYCARBOXYLIC ACIDS H1-0, H1-10, H1-5 TSHR 3027/4885HSD17B10 68/4885MGAM 2989/4885

“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.