SCHEMBL3199103

SCHEMBL3199103

CCCCOc1cccc(CCC=O)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.56
KCNH2 Q12809 2/20 0.55
PPARA Q07869 4/20 0.52
PPARG P37231 2/20 0.51
PLA2G4B P0C869 1/20 0.48
GGPS1 O95749 1/20 0.48

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
SCHEMBL9266111 0.94 CYP2D6 (0.58) CYP2D6KCNH2PPARAPPARGPLA2G4B
SCHEMBL910493 0.92 CHRM2 (0.49) CYP2D6KCNH2PPARAPPARG
SCHEMBL7350183 0.87 PPARA (0.62) CYP2D6KCNH2PPARAPPARGGGPS1
SCHEMBL5257651 0.87 PPARA (0.58) CYP2D6KCNH2PPARAPPARGPLA2G4B
SCHEMBL3030411 0.86 CYP2D6 (0.53) CYP2D6KCNH2PLA2G4BGGPS1
SCHEMBL910728 0.86 CHRM2 (0.62) CYP2D6KCNH2PPARAPPARG
SCHEMBL720798 0.85 CYP2D6 (0.58) CYP2D6KCNH2PPARAPPARGPLA2G4B
SCHEMBL7345998 0.84 TLR4 (0.52) CYP2D6KCNH2PLA2G4B
SCHEMBL14382693 0.84 CYP2D6 (0.57) CYP2D6KCNH2PPARAPPARGPLA2G4B
SCHEMBL8053831 0.83 CYP2D6 (0.56) CYP2D6KCNH2PPARAPPARGPLA2G4B

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368102-A 2- amino -1,3,4- thiadiazines and antifungal agent based on 2- amino -1,3,4- oxadiazines F2G有限公司 2018-08-03 CN disclosed
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
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 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 4261/4885PPARA 141/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 CYP2D6 4722/4885KCNH2 1345/4885PPARA 3512/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 CYP2D6 4804/4885KCNH2 4324/4885PPARA 101/4885

“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.