SCHEMBL3199092

SCHEMBL3199092

CCCCOc1cccc(C(C)[C]=O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.48
PTGES O14684 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
TSHR P16473 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CACNA1B Q00975 1/20 0.47
CYSLTR2 Q9NS75 3/20 0.47
CYSLTR1 Q9Y271 3/20 0.47
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TLR4 O00206 1/20 0.45
TLR2 O60603 1/20 0.45
THRB P10828 1/20 0.44
LTA4H P09960 1/20 0.44
PLA2G4B P0C869 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
SCHEMBL910490 0.92 KDM4E (0.49) ALOX5PTGESPPARGPPARATSHR
SCHEMBL910725 0.86 TP53 (0.47) TSHRKDM4EACACBACACAALDH1A1
SCHEMBL3188384 0.82 MAPK1 (0.48) TSHRLMNASMN1; SMN2LTA4H
SCHEMBL12652785 0.82 KDM4E (0.67) ALOX5PTGESPPARGPPARATSHR
SCHEMBL25080975 0.81 CACNA1B (0.54) ALOX5PTGESPPARGPPARATSHR
SCHEMBL26696139 0.80 TSHR (0.53) ALOX5PTGESPPARGPPARATSHR
SCHEMBL14066695 0.80 CACNA1B (0.53) ALOX5PTGESPPARGPPARATSHR
SCHEMBL16950919 0.80 TSHR (0.51) ALOX5PTGESPPARGPPARATSHR
SCHEMBL14119424 0.80 TSHR (0.51) ALOX5PTGESPPARGPPARATSHR
SCHEMBL28259656 0.79 TSHR (0.51) ALOX5PTGESPPARGPPARATSHR

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 ALOX5 711/4885PTGES 1306/4885PPARG 240/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ALOX5 4130/4885PTGES 2103/4885PPARG 4049/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ALOX5 769/4885PTGES 1174/4885PPARG 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.