SCHEMBL3773246

SCHEMBL3773246

CCOc1[c]ccc(C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.47
TACR2 P21452 1/20 0.39
FDPS P14324 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
HPGD P15428 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 3/20 0.35
GAA P10253 2/20 0.33
ALDH1A3 P47895 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL360286 0.79 ALDH1A1 (0.47) ALDH1A1FDPSHPGDTDP1MAPT
SCHEMBL27407171 0.74 FDPS (0.33) ALDH1A1FDPSSMN1; SMN2
SCHEMBL128388 0.73 NQO1 (0.46) ALDH1A1HPGDTDP1MAPTKDM4E
SCHEMBL11513183 0.73 NQO1 (0.36) ALDH1A1L3MBTL1HPGDTDP1MAPT
SCHEMBL157423 0.72 TSHR (0.37) ALDH1A1L3MBTL1HPGDTDP1MAPT
SCHEMBL7690729 0.72 NQO1 (0.34)
SCHEMBL15352630 0.72 NQO1 (0.34)
SCHEMBL6602231 0.72 TP53 (0.46) ALDH1A1L3MBTL1HPGDTDP1MAPT
SCHEMBL160927 0.72 NQO1 (0.34) L3MBTL1TDP1
SCHEMBL3048684 0.72 LTA4H (0.38) ALDH1A1HPGDMAPTKDM4ETSHR

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214644-A1 PERFUME PRECURSOR TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-07-15 US claimed
EP-3689849-A1 PERFUME PRECURSOR Takasago International Corporation (JP) 2020-08-05 EP claimed
EP-2652102-B1 MOC COMPOSITIONS GIVAUDAN SA (CH) 2016-09-14 EP claimed
US-9125828-B2 MOC compositions GIVAUDAN SA (CH) 2015-09-08 US claimed
US-20130336911-A1 MOC Compositions GIVAUDAN SA (CH) 2013-12-19 US claimed
EP-2652102-A1 MOC COMPOSITIONS Givaudan SA (CH) 2013-10-23 EP claimed
WO-2012080235-A1 MOC COMPOSITIONS GIVAUDAN SA (CH) 2012-06-21 WO claimed
US-11802258-B2 Perfume precursor TAKASAGO INTERNATIONAL CORPORATION (JP) 2023-10-31 US disclosed
US-20210214644-A1 PERFUME PRECURSOR TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-07-15 US disclosed
EP-3689849-A1 PERFUME PRECURSOR Takasago International Corporation (JP) 2020-08-05 EP disclosed
EP-2652102-B1 MOC COMPOSITIONS GIVAUDAN SA (CH) 2016-09-14 EP disclosed
US-9125828-B2 MOC compositions GIVAUDAN SA (CH) 2015-09-08 US disclosed
US-9125828-B2 MOC compositions GIVAUDAN SA (CH) 2015-09-08 US disclosed
WO-2012080235-A1 MOC COMPOSITIONS GIVAUDAN SA (CH) 2012-06-21 WO disclosed
US-7855194-B2 Pyrimidine, quinazoline, pteridine and triazine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-21 US disclosed
US-20090047223-A1 Improvements in or Related to Organic Compoounds GIVAUDAN SA (CH) 2009-02-19 US disclosed
EP-1966117-A1 IMPROVEMENTS IN OR RELATED TO ORGANIC COMPOUNDS Givaudan SA (CH) 2008-09-10 EP disclosed
US-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-09-27 US disclosed
WO-2007071085-A1 IMPROVEMENTS IN OR RELATED TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2007-06-28 WO disclosed
US-6306818-B1 ESTER, THIOESTER, ORGANIC CARBONATE AND/OR THIOCARBONATE DERIVATIVES; COSMETICS, DETERGENTS, FABRIC SOFTENERS, ANTIPERSPIRANTS; SUSTAINED SCENT GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-10-23 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 (4 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-11802258-B2 Perfume precursor CYP2E1, ADH1A, CYP1A1 ALDH1A1 26/4885TACR2 2823/4885FDPS 555/4885
US-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives SSTR5, SSTR3, SSTR1 ALDH1A1 2891/4885TACR2 55/4885FDPS 1437/4885
US-20210214644-A1 PERFUME PRECURSOR CYP2E1, ADH1A, CYP1A1 ALDH1A1 26/4885TACR2 2823/4885FDPS 555/4885
US-20090047223-A1 Improvements in or Related to Organic Compoounds LPO, OTC, OAT ALDH1A1 296/4885TACR2 3667/4885FDPS 12/4885

“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.