SCHEMBL3658017

SCHEMBL3658017

Cc1cc2c(cc1C)C(=O)C(C)C2

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 17/20 0.61
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.38
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35

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
SCHEMBL29621066 1.00 ACHE (0.61) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL6936371 0.85 ACHE (0.54) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL3739573 0.82 ACHE (0.78) ACHE
SCHEMBL15700843 0.82 ACHE (0.51) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL15931778 0.82 ACHE (0.51) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL8091521 0.79 ACHE (0.69) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL8099829 0.79 ACHE (0.69) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL6190911 0.78 ACHE (0.38) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL8255700 0.78 ACHE (0.58) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL31619906 0.78 ACHE (0.58) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108445-B Intermediate compounds for the production of perfuming ingredients 弗门尼舍有限公司 2020-08-14 CN disclosed
EP-3245185-B1 INTERMEDIATE COMPOUNDS FOR PRODUCING PERFUMING INGREDIENTS FIRMENICH & CIE (CH) 2019-03-13 EP disclosed
US-9981894-B2 Intermediate compounds for producing perfuming ingredients FIRMENICH SA (CH) 2018-05-29 US disclosed
US-20180002260-A1 INTERMEDIATE COMPOUNDS FOR PRODUCING PERFUMING INGREDIENTS FIRMENICH SA (CH) 2018-01-04 US disclosed
EP-3245185-A1 INTERMEDIATE COMPOUNDS FOR PRODUCING PERFUMING INGREDIENTS Firmenich SA (CH) 2017-11-22 EP disclosed
CN-107108445-A Midbody compound for producing perfuming component 弗门尼舍有限公司 2017-08-29 CN disclosed
WO-2016113151-A1 INTERMEDIATE COMPOUNDS FOR PRODUCING PERFUMING INGREDIENTS FIRMENICH SA (CH) 2016-07-21 WO disclosed
US-8569532-B2 Catalysts BOREALIS TECHNOLOGY OY (FI) 2013-10-29 US disclosed
US-8569532-B2 Catalysts BOREALIS TECHNOLOGY OY (FI) 2013-10-29 US disclosed
US-8569532-B2 Catalysts BOREALIS TECHNOLOGY OY (FI) 2013-10-29 US disclosed
EP-1636245-A1 BISINDENYL ZIRCONIUM COMPLEXES FOR USE IN THE POLYMERISATION OF OLEFINS Basell Polyolefine GmbH (DE) 2006-03-22 EP disclosed
WO-2004106351-A1 BISINDENYL ZIRCONIUM COMPLEXES FOR USE IN THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-12-09 WO disclosed
EP-1022265-B1 2-Indanemethanol derivatives and their use as perfuming ingredients FIRMENICH & CIE (CH) 2003-03-26 EP disclosed
US-RE37573-E1 Process for the preparation of an olefin polymer using metallocenes containing specifically substituted indenyl ligands BASELL POLYOLEFIN GMBH (DE) 2002-03-05 US disclosed
US-6323173-B1 COMPOUNDS WHICH DEVELOP FRESH, HUMIC, VERY PLEASANT FRAGRANCE OF LILY OF THE VALLEY TYPE; GOOD STABILITY AND EXCELLENT TENACITY FIRMENICH SA (CH) 2001-11-27 US disclosed
EP-1022265-A1 2-Indanemethanol derivatives and their use as perfuming ingredients FIRMENICH SA (CH) 2000-07-26 EP disclosed
US-5869584-A Process for the preparation of an olefin polymer using metallocenes containing specifically substituted indenyl ligands TARGOR GMBH (DE) 1999-02-09 US disclosed
EP-0582194-B1 Process for the preparation of polymers using metallocenes with specifically substituted indenyl ligands TARGOR GMBH (DE) 1998-05-06 EP disclosed
US-5455365-A Metallocene compound containing substituted indenyl ligand and transition metal element from groups IVb, Vb, or VIb; addition polymerization with aluminoxane cocatalyst HOECHST AG (DE) 1995-10-03 US disclosed
EP-0582194-A1 Process for the preparation of polymers using metallocenes with specifically substituted indenyl ligands HOECHST AKTIENGESELLSCHAFT (DE) 1994-02-09 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 (1 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-20180002260-A1 INTERMEDIATE COMPOUNDS FOR PRODUCING PERFUMING INGREDIENTS PTGIS, PTGES, POR ACHE 423/4885KDM4E 3819/4885MEN1 3719/4885

“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.