SCHEMBL34607

SCHEMBL34607

C1=CN(C2CCCCC2)CN1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
ABCB1 P08183 1/20 0.31
SLC18A3 Q16572 1/20 0.30

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
Water SCHEMBL29258026 0.97 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
Bromide SCHEMBL584440 0.97 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL819060 0.97 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
Iodide SCHEMBL5143897 0.97 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
Bromide SCHEMBL584276 0.97 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
Bromide SCHEMBL25396186 0.97 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL4228173 0.97
Bromide SCHEMBL6882180 0.95 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
Water SCHEMBL29258024 0.94
SCHEMBL15984646 0.83 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023230093-A1 ONE-POT SYNTHESIS FOR DELAMINATED ZEOLITES CHEVRON U.S.A. INC. (US) 2023-11-30 WO claimed
US-20230372912-A1 ONE-POT SYNTHESIS FOR DELAMINATED ZEOLITES CHEVRON U.S.A. INC. (US) 2023-11-23 US claimed
CN-116768832-A Preparation method of 2,5-furandicarboxylic acid compound 江苏赛瑞克新材料科技有限公司 2023-09-19 CN claimed
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
CN-107848820-B Process for preparing zeolite SSZ-98 雪佛龙美国公司 2020-08-14 CN claimed
EP-3394074-B1 IMMOBILIZED METAL ALKYLIDENE CATALYSTS AND USE THEREOF IN OLEFIN METATHESIS XIMO AG (CH) 2019-10-09 EP claimed
EP-3347308-B1 METHOD FOR PREPARING ZEOLITE SSZ-98 CHEVRON USA INC (US) 2019-07-31 EP claimed
CN-104860975-B A kind of preparation method of bortezomib synthetic intermediate 江苏天士力帝益药业有限公司 2019-07-12 CN claimed
EP-2355223-B1 REDOX FLOW BATTERY INCLUDING AN ORGANIC ELECTROLYTE SOUTION SAMSUNG ELECTRONICS CO LTD (KR) 2019-04-17 EP claimed
CN-102142571-A Organic electrolyte solution and redox flow battery including the same SAMSUNG ELECTRONICS CO LTD 2011-08-03 CN claimed
CN-101781326-A Intermediate for preparing chiral aminoboronic acid and preparation method thereof FUJIAN SOUTH PHARMACEUTICAL CO 2010-07-21 CN claimed
US-20100130763-A1 PROCESSES FOR THE PRODUCTION OF FATTY ACID ALKYL ESTERS SOUTHERN ILLINOIS UNIVERSITY CARBONDALE (US) 2010-05-27 US claimed
US-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2009-03-12 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-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US claimed
EP-1885669-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS Promerus LLC (US) 2008-02-13 EP claimed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 US claimed
WO-2006128097-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS PROMERUS LLC (US) 2006-11-30 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-10744494-B2 Immobilized metal alkylidene catalysts and use thereof in olefin metathesis AOC2, AOC3, AOX1 ALDH1A1 101/4885SMN1; SMN2 4003/4885CYP3A4 475/4885
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions NDC1, DDC, PDCD1LG2 ALDH1A1 893/4885SMN1; SMN2 3238/4885CYP3A4 2815/4885
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
US-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES PF4, AFF4, FLI1 ALDH1A1 540/4885SMN1; SMN2 3415/4885CYP3A4 26/4885

“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.