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
SCHEMBL11513183 0.73 NQO1 (0.36) ALDH1A1L3MBTL1HPGDTDP1MAPT
SCHEMBL128388 0.73 NQO1 (0.46) ALDH1A1HPGDTDP1MAPTKDM4E
SCHEMBL160927 0.72 NQO1 (0.34) L3MBTL1TDP1
SCHEMBL3048684 0.72 LTA4H (0.38) ALDH1A1HPGDMAPTKDM4ETSHR
SCHEMBL15352630 0.72 NQO1 (0.34) —
SCHEMBL7690729 0.72 NQO1 (0.34) —
SCHEMBL6602231 0.72 TP53 (0.46) ALDH1A1L3MBTL1HPGDTDP1MAPT
SCHEMBL157423 0.72 TSHR (0.37) ALDH1A1L3MBTL1HPGDTDP1MAPT

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.

Send feedback