SCHEMBL14322280

SCHEMBL14322280

CCOc1cc([C@H]2OC[C@H](C)O2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.48
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
AR P10275 1/20 0.43
THRB P10828 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
ALOX5 P09917 1/20 0.43
PTPN1 P18031 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.40
NR3C1 P04150 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL14322279 1.00 GAA (0.48) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL367278 1.00 GAA (0.48) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL29369734 1.00 GAA (0.48) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL11913917 0.87 GAA (0.46) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL14323026 0.87 GAA (0.46) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL14330214 0.85 GAA (0.47) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL14324043 0.85 GAA (0.47) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL14324042 0.85 GAA (0.47) GAAALDH1A1MEN1MAPTKMT2A
Eucalyptol SCHEMBL28249441 0.85 GAA (0.40) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL118412 0.85 PPARD (0.60) ALOX5PTPN1PPARGPPARDNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180037843-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2018-02-08 US claimed
EP-2723841-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2017-01-04 EP claimed
US-20160186093-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2016-06-30 US claimed
US-9309487-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2016-04-12 US claimed
US-20140378360-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2014-12-25 US claimed
EP-2723841-A1 PERFUME SYSTEMS The Procter and Gamble Company (US) 2014-04-30 EP claimed
US-20120329696-A1 PERFUME SYSTEMS PROCTER & GAMBLE COMPANY, THE 2012-12-27 US claimed
WO-2012177357-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2012-12-27 WO claimed
US-20180037843-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2018-02-08 US disclosed
US-9822327-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2017-11-21 US disclosed
US-20160186093-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2016-06-30 US disclosed
US-9309487-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2016-04-12 US disclosed
US-20140378360-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2014-12-25 US disclosed
US-8912350-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2014-12-16 US disclosed
US-20120329696-A1 PERFUME SYSTEMS PROCTER & GAMBLE COMPANY, THE 2012-12-27 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 (2 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-20180037843-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 GAA 2528/4885ALDH1A1 1292/4885MEN1 3884/4885
US-20120329696-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 GAA 2528/4885ALDH1A1 1292/4885MEN1 3884/4885

“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.