SCHEMBL14616862

SCHEMBL14616862

C/C(=C\C(=O)OCCCCCCCCC(=O)O)CC1OCC(C/C=C/C(C)C(C)O)C(O)C1O

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IARS1 P41252 5/20 0.69
HTR2A P28223 1/20 0.69
PTGFR P43088 2/20 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
SCHEMBL974341 1.00 IARS1 (0.69) IARS1HTR2APTGFR
SCHEMBL14045603 0.87 IARS1 (0.66) IARS1HTR2A
SCHEMBL29885016 0.84 IARS1 (0.51) IARS1HTR2A
SCHEMBL29885136 0.84 IARS1 (0.51) IARS1HTR2A
SCHEMBL19183608 0.82 IARS1 (0.69) IARS1HTR2A
SCHEMBL9033558 0.82 HTR2A (0.44) IARS1HTR2A
Mupirocin SCHEMBL15387504 0.82 IARS1 (1.00) IARS1HTR2A
Mupirocin SCHEMBL18995884 0.82 IARS1 (1.00) IARS1HTR2A
Mupirocin SCHEMBL1027616 0.82 IARS1 (1.00) IARS1HTR2A
Mupirocin SCHEMBL3291 0.82 IARS1 (1.00) IARS1HTR2A

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-20130018023-A1 COMPOSITIONS FOR TOPICAL ADMINISTRATION SOL-GEL TECHNOLOGIES LTD. (IL) 2013-01-17 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-20130018023-A1 COMPOSITIONS FOR TOPICAL ADMINISTRATION RDX, PRXL2A, PRDX1 IARS1 2874/4885HTR2A 4785/4885PTGFR 2553/4885

“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.