SCHEMBL17880457

SCHEMBL17880457

CC(=O)OC/C=C\COCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 6/20 0.35
ALOX15 P16050 2/20 0.35
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL74779 0.80 ALDH1A1 (0.50) TSHRPTPN1ALDH1A1ALOX15LMNA
SCHEMBL271027 0.80 ALDH1A1 (0.50) TSHRPTPN1ALDH1A1ALOX15LMNA
SCHEMBL9697277 0.80 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL221749 0.80 ALDH1A1 (0.50) TSHRPTPN1ALDH1A1ALOX15LMNA
SCHEMBL8909670 0.80 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL11791908 0.79 PTPN1 (0.41) TSHRPTPN1ALDH1A1ALOX15LMNA
SCHEMBL17880417 0.79 PTPN1 (0.41) TSHRPTPN1ALDH1A1ALOX15LMNA
SCHEMBL11791904 0.79 PTPN1 (0.41) TSHRPTPN1ALDH1A1ALOX15LMNA
SCHEMBL30902273 0.77 ALDH1A1 (0.39) TSHRPTPN1ALDH1A1ALOX15LMNA
SCHEMBL23872888 0.77 SMN1; SMN2 (0.50) TSHRALDH1A1ALOX15LMNASMN1; SMN2

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-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-30 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-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES QPCT, PTMS, MAX TSHR 2378/4885PTPN1 4006/4885ALDH1A1 4444/4885

“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.