SCHEMBL3197597

SCHEMBL3197597

CCCCOc1ccccc1NCCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.52
HIF1A Q16665 1/20 0.52
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP2C19 P33261 1/20 0.51
POLB P06746 2/20 0.51
TSHR P16473 1/20 0.51
LMNA P02545 1/20 0.48
S1PR5 Q9H228 2/20 0.47
CYSLTR2 Q9NS75 2/20 0.47
CYSLTR1 Q9Y271 2/20 0.47
PLA2G4B P0C869 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3214613 0.93 KMT2A (0.56) NPSR1ALDH1A1KMT2AMEN1HIF1A
SCHEMBL5515496 0.88 ALDH1A1 (0.57) NPSR1ALDH1A1KMT2AMEN1HIF1A
SCHEMBL3210116 0.87 CYP2C19 (0.67) ALDH1A1KMT2AMEN1HPGDHSD17B10
SCHEMBL5514739 0.84 MEN1 (0.52) NPSR1ALDH1A1KMT2AMEN1HIF1A
SCHEMBL5513638 0.82 ALDH1A1 (0.52) NPSR1ALDH1A1KMT2AMEN1HIF1A
SCHEMBL5524144 0.81 ALDH1A1 (0.54) NPSR1ALDH1A1KMT2AMEN1HIF1A
SCHEMBL5515782 0.81 ALDH1A1 (0.54) NPSR1ALDH1A1KMT2AMEN1HIF1A
SCHEMBL30063371 0.80 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1HPGDHSD17B10
SCHEMBL3213693 0.80 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1HPGDHSD17B10
SCHEMBL11639548 0.80 CHRM2 (0.55) NPSR1ALDH1A1KMT2AMEN1CYP2C19

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 NPSR1 2216/4885ALDH1A1 1501/4885KMT2A 4332/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 NPSR1 4560/4885ALDH1A1 3543/4885KMT2A 4216/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 NPSR1 2485/4885ALDH1A1 1151/4885KMT2A 4416/4885

“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.