SCHEMBL3207404

SCHEMBL3207404

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.54
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATM Q13315 1/20 0.44
MAPT P10636 1/20 0.43
STING1 Q86WV6 1/20 0.43

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
SCHEMBL2677732 0.90 SMN1; SMN2 (0.58) POLBSMN1; SMN2MAPK1CYP3A4CYP2C9
SCHEMBL3210474 0.82 POLB (0.58) POLBSMN1; SMN2CYP2C9CYP2C19KMT2A
SCHEMBL9829057 0.81 KMT2A (0.58) SMN1; SMN2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3209008 0.80 POLB (0.55) POLBSMN1; SMN2MAPK1CYP3A4CYP2C9
SCHEMBL9525237 0.79 CYP3A4 (0.47) SMN1; SMN2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3207946 0.78 MEN1 (0.62) POLBSMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL3207873 0.78 SMN1; SMN2 (0.79) POLBSMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL12963092 0.77 PTGS2 (0.50) SMN1; SMN2MAPK1CYP3A4CYP2C9CYP2C19
SCHEMBL8154116 0.76 POLB (0.55) POLBSMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL3199504 0.76 KMT2A (0.54) POLBSMN1; SMN2MAPK1KMT2AMEN1

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 POLB 1408/4885SMN1; SMN2 24/4885MAPK1 2330/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 POLB 1724/4885SMN1; SMN2 3451/4885MAPK1 2393/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 POLB 882/4885SMN1; SMN2 29/4885MAPK1 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.