SCHEMBL17617136

SCHEMBL17617136

CCC(CC)(C(=O)OC)C(=O)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
DGAT1 O75907 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
POLB P06746 1/20 0.32
PTPRB P23467 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL17617193 0.88 ALDH1A1 (0.33) ALDH1A1TSHRPOLBPKM
SCHEMBL17617155 0.88 ALDH1A1 (0.33) ALDH1A1TSHRPOLBPKM
SCHEMBL809243 0.85 DGAT1 (0.40) ALDH1A1TSHRHSD17B10TDP1DGAT1
SCHEMBL29674742 0.83 DGAT1 (0.39) ALDH1A1TSHRHSD17B10DGAT1MGAM
SCHEMBL17617138 0.83 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10LMNAMGAM
SCHEMBL423150 0.82 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL17617154 0.79 TSHR (0.43) ALDH1A1TSHRLMNA
SCHEMBL17617189 0.78 ALDH1A1 (0.36) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL17617140 0.78 ALDH1A1 (0.36) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL4901424 0.78 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10TDP1LMNA

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-20160083341-A1 METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE API CORPORATION (JP) 2016-03-24 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-20160083341-A1 METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE MGMT, GSTA1, CBS ALDH1A1 236/4885TSHR 1898/4885HSD17B10 437/4885

“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.