SCHEMBL17617138

SCHEMBL17617138

CCOC(=O)C(CC)(CC)C(=O)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 3/20 0.41
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SOAT1 P35610 1/20 0.39
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.35

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
SCHEMBL17617146 0.89 MEN1 (0.43) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL17617199 0.89 MEN1 (0.43) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL1244565 0.87 MEN1 (0.54) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL17617195 0.86 MEN1 (0.43) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL17617178 0.86 MEN1 (0.43) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL23091475 0.84 MEN1 (0.52) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL27889245 0.84 MEN1 (0.52) ALDH1A1LMNAHSD17B10MEN1KMT2A
Ammonia Solution, Strong SCHEMBL29049233 0.84 MEN1 (0.52) ALDH1A1LMNAHSD17B10MEN1KMT2A
Iodide SCHEMBL10533617 0.84 MEN1 (0.52) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL17617136 0.83 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10TSHRPKM

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 236/4885LMNA 4014/4885HSD17B10 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.