SCHEMBL3200580

SCHEMBL3200580

CC(C(=O)NCCC(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.52
ERCC4 Q92889 1/20 0.52
ACE P12821 2/20 0.51
MME P08473 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGAV P06756 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MMEL1 Q495T6 1/20 0.48
ECE1 P42892 2/20 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
SCHEMBL14540295 1.00 ERCC1 (0.52) ERCC1ERCC4ACEMMEITGB3
SCHEMBL9829520 0.89 TRPV1 (0.53) ERCC1ERCC4TRPV1ALDH1A1
SCHEMBL8767346 0.87 NAAA (0.55) ERCC1ERCC4TRPV1ALDH1A1
SCHEMBL11471099 0.85 GLI1 (0.59) ERCC1ERCC4TRPV1ALDH1A1
SCHEMBL28658959 0.84 GPR88 (0.56) ERCC1ERCC4TRPV1ALDH1A1
SCHEMBL19245448 0.84 GPR88 (0.56) ERCC1ERCC4TRPV1ALDH1A1
SCHEMBL24045921 0.83 TRPV1 (0.64) TRPV1
SCHEMBL6137585 0.82 MME (0.62) ERCC1ERCC4ACEMMEITGB3
SCHEMBL9832121 0.82 CNR1 (0.69) ACEMMEALDH1A1
SCHEMBL5842738 0.82 TRPV1 (0.56) ERCC1ERCC4TRPV1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP 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 (3 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ERCC1 1510/4885ERCC4 1427/4885ACE 1561/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ERCC1 993/4885ERCC4 1174/4885ACE 475/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ERCC1 1489/4885ERCC4 1561/4885ACE 1667/4885

“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.