SCHEMBL910490

SCHEMBL910490

CCCOc1cccc(C(C)[C]=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
ROCK1 Q13464 3/20 0.46
PRKACA P17612 2/20 0.46
GSK3A P49840 2/20 0.46
GSK3B P49841 2/20 0.46
PRKX P51817 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
ROCK2 O75116 1/20 0.46
DYRK3 O43781 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CDK2 P24941 1/20 0.46
AKT2 P31751 1/20 0.46
IRAK1 P51617 1/20 0.46
CDK5 Q00535 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKG2 Q13237 1/20 0.46
PRKG1 Q13976 1/20 0.46
PKN2 Q16513 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
SCHEMBL3199092 0.92 ALOX5 (0.48) KDM4ETSHRACACBACACAALDH1A1
SCHEMBL910725 0.87 TP53 (0.47) KDM4ETSHRACACBACACAALDH1A1
SCHEMBL3034246 0.82 KMT2A (0.53) KDM4ETSHRKMT2AROCK1PRKACA
SCHEMBL5018851 0.82 KDM4E (0.69) KDM4ETSHRKMT2AROCK1PRKACA
SCHEMBL909955 0.80 ACACB (0.51) ACACBACACA
SCHEMBL3034249 0.79 KMT2A (0.53) KDM4ETSHRKMT2AROCK1PRKACA
SCHEMBL11954263 0.79 KDM4E (0.53) KDM4ETSHRKMT2AROCK1PRKACA
SCHEMBL16958025 0.79 KDM4E (0.53) KDM4ETSHRKMT2AROCK1PRKACA
SCHEMBL4279317 0.79 KDM4E (0.53) KDM4ETSHRKMT2AROCK1PRKACA
SCHEMBL9166568 0.79 TSHR (0.53) KDM4ETSHRKMT2AROCK1PRKACA

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 8 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

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 KDM4E 4157/4885TSHR 4713/4885KMT2A 4332/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 KDM4E 3885/4885TSHR 4711/4885KMT2A 4216/4885
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 KDM4E 662/4885TSHR 2401/4885KMT2A 2581/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 KDM4E 4258/4885TSHR 4731/4885KMT2A 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.