SCHEMBL3199098

SCHEMBL3199098

CCCCOc1cccc(CC[C]=O)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.53
KCNH2 Q12809 2/20 0.52
PPARG P37231 2/20 0.51
PPARA Q07869 2/20 0.51
PLA2G4B P0C869 1/20 0.48
GGPS1 O95749 1/20 0.48
CNR1 P21554 1/20 0.46
CNR2 P34972 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
SCHEMBL9266100 0.94 PPARA (0.56) CYP2D6KCNH2PPARGPPARAPLA2G4B
SCHEMBL910492 0.92 KMT2A (0.49) CYP2D6KCNH2PPARGPPARAGGPS1
SCHEMBL7350178 0.87 PPARA (0.58) CYP2D6KCNH2PPARGPPARAPLA2G4B
SCHEMBL5257647 0.87 PPARA (0.54) CYP2D6KCNH2PPARGPPARAPLA2G4B
SCHEMBL910726 0.86 CHRM2 (0.55) CYP2D6PPARGPPARA
SCHEMBL720798 0.85 CYP2D6 (0.58) CYP2D6KCNH2PPARGPPARAPLA2G4B
SCHEMBL3015067 0.85 MEN1 (0.56) CYP2D6KCNH2PPARGPPARA
SCHEMBL3207718 0.84 GGPS1 (0.50) CYP2D6KCNH2PPARGPPARAPLA2G4B
SCHEMBL7345993 0.84 PLA2G4B (0.50) CYP2D6PLA2G4B
SCHEMBL14382693 0.84 CYP2D6 (0.57) CYP2D6KCNH2PPARGPPARAPLA2G4B

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 9 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
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

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 CYP2D6 4781/4885KCNH2 4261/4885PPARG 240/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 CYP2D6 4722/4885KCNH2 1345/4885PPARG 4049/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 CYP2D6 4804/4885KCNH2 4324/4885PPARG 163/4885

“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.