SCHEMBL237372

SCHEMBL237372

CC(=O)CCC(C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
SLC15A2 Q16348 1/20 0.39
CA1 P00915 2/20 0.35
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 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
SCHEMBL16786175 1.00 ALDH1A1 (0.47) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL16360132 1.00 ALDH1A1 (0.47) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL9720153 0.88 ALDH1A1 (0.53) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL1783594 0.84 ALDH1A1 (0.43) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL1781677 0.82 PAOX (0.44) ALDH1A1TDP1LMNASLC15A2ACHE
SCHEMBL1783331 0.79 ALDH1A1 (0.43) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL1783542 0.79 ALDH1A1 (0.43) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL15943069 0.79 ALDH1A1 (0.43) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL244922 0.78 GABRP (0.56) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL11802464 0.78 ALDH1A1 (0.47) ALDH1A1TDP1LMNASLC15A2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590523-A Synthesis method of cryptone 天津市安凯特科技发展有限公司 2019-12-20 CN claimed
EP-2904080-B1 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP ASSETS BV (NL) 2018-12-12 EP claimed
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
CN-110590523-A Synthesis method of cryptone 天津市安凯特科技发展有限公司 2019-12-20 CN disclosed
CN-110590523-A Synthesis method of cryptone 天津市安凯特科技发展有限公司 2019-12-20 CN disclosed
EP-2904080-B1 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP ASSETS BV (NL) 2018-12-12 EP disclosed
US-9809824-B2 CpG oligonucleotide prodrugs, compositions thereof and associated therapeutic methods THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-11-07 US disclosed
US-20170174877-A1 COMPATIBILIZER AND THERMOPLASTIC RESIN EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-06-22 US disclosed
US-9428541-B2 Substrate reduction therapy THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-08-30 US disclosed
US-20150307439-A1 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP ASSETS B.V. (NL) 2015-10-29 US disclosed
US-20150307439-A1 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP ASSETS B.V. (NL) 2015-10-29 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
EP-1737881-B1 NOVEL COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2009-06-24 EP disclosed
US-20090048226-A1 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-7358273-B2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-15 US disclosed
US-20070281308-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDE PRIMERS FOR NUCLEIC ACID AMPLIFICATION TRILINK BIOTECHNOLOGIES, LLC 2007-12-06 US disclosed
US-7186782-B2 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2007-03-06 US disclosed
US-20060041079-A1 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION 2006-02-23 US disclosed
US-6881797-B2 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2005-04-19 US disclosed
US-20040082727-A1 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (CN) 2004-04-29 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-20070281308-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDE PRIMERS FOR NUCLEIC ACID AMPLIFICATION POLRMT, POLI, POLM ALDH1A1 384/4885TDP1 389/4885LMNA 1287/4885
US-20150307439-A1 FLAVOR AND FRAGRANCE FORMULATION (I) NISCH, TAS2R5, FDFT1 ALDH1A1 97/4885TDP1 4077/4885LMNA 3428/4885
US-20090048226-A1 Inhibitors of caspases CASP1, APAF1, IRF3 ALDH1A1 1431/4885TDP1 550/4885LMNA 613/4885
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 ALDH1A1 542/4885TDP1 786/4885LMNA 1470/4885

“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.