SCHEMBL910556

SCHEMBL910556

CCOc1ccccc1CCC=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.56
MAPT P10636 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
ATM Q13315 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
PLEC Q15149 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL910858 0.86 L3MBTL1 (0.49) L3MBTL1MAPTNPSR1ALDH1A1MAPK1
SCHEMBL3210778 0.85 PPARD (0.49) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL14675360 0.84 L3MBTL1 (0.53) L3MBTL1MAPTNPSR1ALDH1A1MAPK1
SCHEMBL9264764 0.82 MAPT (0.49) L3MBTL1MAPTNPSR1CHRM2MEN1
SCHEMBL8073005 0.82 L3MBTL1 (0.51) L3MBTL1MAPTNPSR1ALDH1A1MAPK1
SCHEMBL910888 0.81 CHRM2 (0.58) ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL2556550 0.81 L3MBTL1 (0.59) L3MBTL1MAPTNPSR1ALDH1A1MAPK1
SCHEMBL3025748 0.79 L3MBTL1 (0.61) L3MBTL1MAPTNPSR1ALDH1A1MAPK1
SCHEMBL11717626 0.79 L3MBTL1 (0.56) L3MBTL1MAPTNPSR1ALDH1A1MAPK1
SCHEMBL6371012 0.79 HTR1A (0.67) L3MBTL1MAPTMAPK1GAATDP1

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 12 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-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
EP-2255780-A1 PARAKERATOSIS INHIBITOR, PORE SHRINKING AGENT OR AGENT FOR PREVENTING OR IMPROVING ROUGH SKIN, AND COMPOSITION FOR EXTERNAL USE ON THE SKIN CONTAINING THE SAME Shiseido Company, Ltd. (JP) 2010-12-01 EP 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
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US 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 (4 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 L3MBTL1 874/4885MAPT 2499/4885NPSR1 2216/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 L3MBTL1 1100/4885MAPT 2324/4885NPSR1 4560/4885
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same CUTA, GLRA3, ARGLU1 L3MBTL1 3695/4885MAPT 3999/4885NPSR1 2497/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 L3MBTL1 999/4885MAPT 2212/4885NPSR1 2485/4885

“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.