SCHEMBL34606

SCHEMBL34606

[C]1N(C2CCCCC2)C=CN1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6683552 0.79
SCHEMBL920706 0.63 MEN1 (0.32) KMT2A
SCHEMBL28437848 0.63 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL34607 0.63 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL920451 0.61 KMT2A (0.31) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
Bromide SCHEMBL25396186 0.61 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
Bromide SCHEMBL584276 0.61 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
Iodide SCHEMBL5143897 0.61 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
Water SCHEMBL29258026 0.61 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL819060 0.61 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3135681-B1 RUTHENIUM COMPLEX, METHOD FOR PRODUCING SAME, AND USE OF SAME TAKASAGO PERFUMERY CO LTD (JP) 2020-08-19 EP claimed
US-10744494-B2 Immobilized metal alkylidene catalysts and use thereof in olefin metathesis XIMO AG (CH) 2020-08-18 US claimed
EP-3394074-B1 IMMOBILIZED METAL ALKYLIDENE CATALYSTS AND USE THEREOF IN OLEFIN METATHESIS XIMO AG (CH) 2019-10-09 EP claimed
US-20190001315-A1 IMMOBILIZED METAL ALKYLIDENE CATALYSTS AND USE THEREOF IN OLEFIN METATHESIS KiMo AG (CH) 2019-01-03 US claimed
US-10167377-B2 Phosphorus containing epoxy compounds and compositions therefrom FRX POLYMERS, INC. (US) 2019-01-01 US claimed
US-20140205832-A1 PHOSPHORUS CONTAINING EPOXY COMPOUNDS AND COMPOSITIONS THEREFROM FRX POLYMERS, INC. (US) 2014-07-24 US claimed
WO-2014003753-A1 LIGNIN DERIVATIVES HAVING POLYCATIONS AND USES THEREOF EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-01-03 WO claimed
WO-2013130101-A1 LIGNIN DERIVATIVES AND USES THEREOF EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2013-09-06 WO claimed
US-20100130763-A1 PROCESSES FOR THE PRODUCTION OF FATTY ACID ALKYL ESTERS SOUTHERN ILLINOIS UNIVERSITY CARBONDALE (US) 2010-05-27 US claimed
US-20080289248-A1 IMMOBILIZED ESTERIFICATION CATALYSTS FOR PRODUCING FATTY ACID ALKYL ESTERS SOUTHERN ILLINOIS UNIVERSITY CARBONDALE (US) 2008-11-27 US claimed
US-20020173650-A1 Metal complexes for hydrogenation of unsaturated compounds UNIVERSITY OF NEW ORLEANS RESEARCH AND TECHNOLOGY FOUNDATION, INC. 2002-11-21 US claimed
US-12012426-B2 Tetradentate diaminodiphosphine ligand and transition metal complex, and method for manufacturing same and application for same TAKASAGO INTERNATIONAL CORPORATION (JP) 2024-06-18 US disclosed
CN-112654630-B Tetradentate diaminodiphosphine ligands, transition metal complexes, methods for their production and use thereof 高砂香料工业株式会社 2024-05-24 CN disclosed
WO-2024034609-A1 POLYESTER DECOMPOSITION METHOD, POLYESTER PRODUCTION METHOD, AND POLYESTER DECOMPOSITION PRODUCT RECOVERY METHOD 国立研究開発法人産業技術総合研究所 2024-02-15 WO disclosed
CN-112218901-B Vinyl ether group-containing (meth) acrylate polymer, process for producing the same, and polymer composition 株式会社日本触媒 2023-08-25 CN disclosed
US-6025496-A Process for preparing heterocyclic carbenes CELANESE GMBH (DE) 2000-02-15 US disclosed
EP-0888308-A1 PROCESS FOR PREPARING HETEROCYCLIC CARBENES Celanese GmbH (DE) 1999-01-07 EP disclosed
US-5728839-A HYDROGENATION OR HYDROFORMYLATION CATALYSTS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-17 US disclosed
WO-1997034875-A1 PROCESS FOR PREPARING HETEROCYCLIC CARBENES CELANESE GMBH (DE) 1997-09-25 WO disclosed
EP-0721953-A1 Metal complexes containing heterocyclic carbenes HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-17 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 (5 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-20100130763-A1 PROCESSES FOR THE PRODUCTION OF FATTY ACID ALKYL ESTERS FASN, LIPC, ACSL4 ALDH1A1 278/4885SMN1; SMN2 4043/4885CYP3A4 121/4885
US-12012426-B2 Tetradentate diaminodiphosphine ligand and transition metal complex, and method for manufacturing same and application for same ADH4, ADH5, PF4 ALDH1A1 219/4885SMN1; SMN2 1672/4885CYP3A4 75/4885
US-10744494-B2 Immobilized metal alkylidene catalysts and use thereof in olefin metathesis AOC2, AOC3, AOX1 ALDH1A1 101/4885SMN1; SMN2 4003/4885CYP3A4 475/4885
US-20080289248-A1 IMMOBILIZED ESTERIFICATION CATALYSTS FOR PRODUCING FATTY ACID ALKYL ESTERS FFAR4, FASN, CEL ALDH1A1 1251/4885SMN1; SMN2 4443/4885CYP3A4 311/4885
US-20020173650-A1 Metal complexes for hydrogenation of unsaturated compounds INTS6, PRDX6, PRDX2 ALDH1A1 4377/4885SMN1; SMN2 3257/4885CYP3A4 2531/4885

“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.