SCHEMBL3210474

SCHEMBL3210474

COc1ccc(NCCC(=O)O)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.58
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2C9 P11712 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
CASP1 P29466 2/20 0.50
HSD17B10 Q99714 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 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
SCHEMBL2676309 0.91 POLB (0.56) POLBCYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL3225860 0.89 POLB (0.50) POLBCYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL3209008 0.88 POLB (0.55) POLBCYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL3208022 0.88 POLB (0.55) POLBSMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL8154116 0.88 POLB (0.55) POLBSMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL3229859 0.87 MAPT (0.56) POLBCYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL9125657 0.83 ALDH1A1 (0.52) POLBCYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL3207404 0.82 POLB (0.54) POLBCYP2C19CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL9831200 0.82 MAPT (0.53) CYP1A2CYP2C19CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL8348474 0.80 KDM4E (0.51) POLBCYP1A2CYP2C19CYP2C9SMN1; SMN2

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 1408/4885CYP1A2 3833/4885CYP2C19 4474/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 POLB 1724/4885CYP1A2 3980/4885CYP2C19 4494/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 POLB 882/4885CYP1A2 3658/4885CYP2C19 4454/4885

“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.