SCHEMBL3207718

SCHEMBL3207718

CCCCOc1cccc(C[C]=O)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 2/20 0.50
PLA2G4B P0C869 1/20 0.50
CYP2D6 P10635 7/20 0.49
KCNH2 Q12809 1/20 0.48
DHFR P00374 1/20 0.48
TSHR P16473 1/20 0.47
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
LTA4H P09960 1/20 0.46
THRB P10828 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
SCHEMBL911167 0.92 KMT2A (0.51) GGPS1PLA2G4BCYP2D6DHFRTSHR
SCHEMBL56662 0.85 CYP3A4 (0.50) CYP2D6DHFRTSHRTHRB
SCHEMBL3199098 0.84 CYP2D6 (0.53) GGPS1PLA2G4BCYP2D6KCNH2PPARG
SCHEMBL11688462 0.84 DHFR (0.48) GGPS1PLA2G4BCYP2D6KCNH2DHFR
SCHEMBL9692722 0.84 DHFR (0.48) GGPS1PLA2G4BCYP2D6KCNH2DHFR
SCHEMBL4785324 0.84 MAOB (0.38) GGPS1TSHR
SCHEMBL8036344 0.81 GGPS1 (0.55) GGPS1PLA2G4BCYP2D6KCNH2DHFR
SCHEMBL6994868 0.81 PLA2G4B (0.48) GGPS1PLA2G4BCYP2D6KCNH2DHFR
SCHEMBL720798 0.81 CYP2D6 (0.58) GGPS1PLA2G4BCYP2D6KCNH2DHFR
SCHEMBL11050996 0.81 KDM4E (0.60) GGPS1PLA2G4BCYP2D6DHFRTSHR

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 GGPS1 2307/4885PLA2G4B 229/4885CYP2D6 4781/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 GGPS1 3170/4885PLA2G4B 2947/4885CYP2D6 4722/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 GGPS1 2556/4885PLA2G4B 318/4885CYP2D6 4804/4885

“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.