SCHEMBL3207873

SCHEMBL3207873

COc1cc(C(=O)NCCC(=O)O)cc(OC)c1OC

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.79
POLB P06746 2/20 0.79
MAPK1 P28482 1/20 0.79
KMT2A Q03164 4/20 0.72
MEN1 O00255 2/20 0.72
BRD4 O60885 2/20 0.63
RXFP1 Q9HBX9 1/20 0.59
NPC1 O15118 1/20 0.59
ALDH1A1 P00352 1/20 0.59
SLC29A1 Q99808 1/20 0.56
ATM Q13315 1/20 0.56

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
SCHEMBL29215500 0.91 POLB (0.67) SMN1; SMN2POLBMAPK1KMT2AMEN1
SCHEMBL30311533 0.91 POLB (0.67) SMN1; SMN2POLBMAPK1KMT2AMEN1
SCHEMBL2677556 0.91 POLB (0.89) SMN1; SMN2POLBMAPK1KMT2AMEN1
SCHEMBL11878483 0.90 POLB (0.97) SMN1; SMN2POLBMAPK1KMT2AMEN1
SCHEMBL5656530 0.88 POLB (1.00) SMN1; SMN2POLBMAPK1KMT2AMEN1
Capobenic Acid SCHEMBL309384 0.88 POLB (1.00) SMN1; SMN2POLBMAPK1KMT2AMEN1
SCHEMBL10790461 0.84 KMT2A (0.77) SMN1; SMN2POLBMAPK1KMT2AMEN1
SCHEMBL2926341 0.84 KMT2A (0.77) SMN1; SMN2POLBMAPK1KMT2AMEN1
SCHEMBL11740732 0.84 KMT2A (0.67) SMN1; SMN2POLBMAPK1KMT2AMEN1
SCHEMBL3199273 0.83 POLB (0.80) SMN1; SMN2POLBMAPK1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1880711-B1 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO CO LTD (JP) 2016-07-20 EP claimed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US claimed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US claimed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP claimed
EP-1880711-B1 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO CO LTD (JP) 2016-07-20 EP disclosed
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 SMN1; SMN2 24/4885POLB 1408/4885MAPK1 2330/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 SMN1; SMN2 3451/4885POLB 1724/4885MAPK1 2393/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 SMN1; SMN2 29/4885POLB 882/4885MAPK1 2010/4885

“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.