SCHEMBL17617154

SCHEMBL17617154

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
PTPN1 P18031 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 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
SCHEMBL6048653 0.88 TSHR (0.42) TSHRPTPN1LMNAMEN1KMT2A
SCHEMBL27432594 0.82 TSHR (0.37) TSHRPTPN1ALDH1A1LMNAMEN1
SCHEMBL17617136 0.79 ALDH1A1 (0.39) TSHRALDH1A1LMNA
SCHEMBL17617144 0.79 TSHR (0.41) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL17617191 0.79 TSHR (0.41) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL28363839 0.78 MEN1 (0.43) TSHRPTPN1ALDH1A1LMNAMEN1
SCHEMBL17617197 0.78 TSHR (0.40) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL17617145 0.78 TSHR (0.40) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL452863 0.78 TSHR (0.37) TSHRPTPN1LMNAMEN1KMT2A
SCHEMBL17617138 0.76 ALDH1A1 (0.46) TSHRALDH1A1LMNAMEN1KMT2A

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 TSHR 1898/4885PTPN1 3076/4885ALDH1A1 236/4885

“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.