SCHEMBL3208935

SCHEMBL3208935

CCOc1ccccc1C(=O)NCCC(=O)O

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.80
NPSR1 Q6W5P4 1/20 0.76
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
HIF1A Q16665 1/20 0.67
ALDH1A1 P00352 3/20 0.64
TSHR P16473 2/20 0.64
MAPT P10636 2/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
RAB9A P51151 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54

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
SCHEMBL5657305 0.89 HCRTR1 (0.82) HCRTR1NPSR1KMT2AMEN1HIF1A
SCHEMBL3195511 0.89 KMT2A (0.85) HCRTR1NPSR1KMT2AMEN1HIF1A
SCHEMBL3196870 0.87 NPSR1 (0.92) HCRTR1NPSR1KMT2AMEN1HIF1A
SCHEMBL15528646 0.86 HCRTR1 (0.76) HCRTR1NPSR1KMT2AMEN1HIF1A
SCHEMBL3199672 0.85 NPSR1 (0.67) NPSR1KMT2AMEN1HIF1AALDH1A1
SCHEMBL22027843 0.85 HCRTR1 (0.85) HCRTR1NPSR1KMT2AMEN1HIF1A
SCHEMBL9951667 0.85 NPSR1 (0.67) NPSR1KMT2AMEN1HIF1AALDH1A1
SCHEMBL10788972 0.85 HCRTR1 (0.74) HCRTR1NPSR1KMT2AMEN1HIF1A
SCHEMBL9491768 0.85 HCRTR1 (0.97) HCRTR1NPSR1KMT2AMEN1HIF1A
SCHEMBL22027959 0.84 HCRTR1 (0.82) HCRTR1NPSR1KMT2AMEN1HIF1A

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 HCRTR1 4150/4885NPSR1 2216/4885KMT2A 4332/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 HCRTR1 4497/4885NPSR1 4560/4885KMT2A 4216/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 HCRTR1 4148/4885NPSR1 2485/4885KMT2A 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.