SCHEMBL21391915

SCHEMBL21391915

CCCCOc1cc(OCCCC(C)C)cc(C(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.69
RARB P10826 5/20 0.57
MAPK1 P28482 1/20 0.56
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
PLA2G4B P0C869 7/20 0.51
KMT2A Q03164 1/20 0.48
PLA2G4A P47712 1/20 0.47

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
SCHEMBL19806815 0.95 PLA2G2A (0.77) PLA2G2ARARBMAPK1TP53TSHR
SCHEMBL19806813 0.94 PLA2G2A (0.63) PLA2G2ARARBMAPK1TP53TSHR
SCHEMBL10830829 0.89 PLA2G2A (0.86) PLA2G2ARARBTP53TSHRPLA2G4B
SCHEMBL3077835 0.85 PLA2G2A (0.80) PLA2G2ARARBTP53TSHRPLA2G4B
SCHEMBL21391802 0.84 PLA2G2A (0.52) PLA2G2ARARBMAPK1TP53TSHR
SCHEMBL28627609 0.84 PLA2G2A (0.77) PLA2G2ARARBTP53TSHRPLA2G4B
SCHEMBL23352169 0.84 PLA2G2A (0.96) PLA2G2ARARBTP53TSHRPLA2G4B
SCHEMBL10263820 0.83 PLA2G2A (0.76) PLA2G2ARARBTP53TSHRPLA2G4B
SCHEMBL13836893 0.82 PLA2G2A (1.00) PLA2G2ARARBTP53TSHRPLA2G4B
SCHEMBL3905253 0.82 PLA2G2A (1.00) PLA2G2ARARBTP53TSHRPLA2G4B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034720-B2 Thiol-yne based peptide stapling and uses thereof UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-06-15 US disclosed
US-20190292218-A1 THIOL-YNE BASED PEPTIDE STAPLING AND USES THEREOF UNIVERSITY OF UTAH 2019-09-26 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 (2 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-20190292218-A1 THIOL-YNE BASED PEPTIDE STAPLING AND USES THEREOF IAPP, TP53, GLP1R PLA2G2A 4711/4885RARB 4776/4885MAPK1 4332/4885
US-11034720-B2 Thiol-yne based peptide stapling and uses thereof IAPP, TP53, GLP1R PLA2G2A 4711/4885RARB 4776/4885MAPK1 4332/4885

“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.