SCHEMBL421462

SCHEMBL421462

CN(C)CC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.53
▸ USP2 O75604 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ CA12 O43570 4/20 0.50
▸ CA1 P00915 4/20 0.50
▸ CA2 P00918 4/20 0.50
▸ CA7 P43166 4/20 0.50
▸ CA9 Q16790 4/20 0.50
▸ CA14 Q9ULX7 4/20 0.50
▸ GAA P10253 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA6 P23280 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PLAA Q9Y263 5/20 0.49
▸ DBH P09172 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ XDH P47989 1/20 0.48

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
SCHEMBL30309743 1.00 KDM4E (0.53) KDM4EUSP2ALDH1A1CA12CA1
SCHEMBL22763940 0.87 CA12 (0.46) KDM4EUSP2ALDH1A1CA12CA1
SCHEMBL10042364 0.85 ALDH1A1 (0.50) KDM4EUSP2ALDH1A1CA12CA1
SCHEMBL6662611 0.85 CA12 (0.47) KDM4ECA12CA1CA2CA7
SCHEMBL21462661 0.84 CA12 (0.50) KDM4EUSP2ALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL11269811 0.82 LCK (0.51) KDM4EUSP2ALDH1A1POLBPLAA
SCHEMBL9768140 0.80 ALPG (0.43) KDM4ECA12CA1CA2CA7
SCHEMBL10538218 0.79 EGFR (0.48) KDM4ECA12CA1CA2CA7
SCHEMBL26491267 0.79 PLAA (0.41) KDM4ECA12CA1CA2CA7
SCHEMBL30389755 0.78 CA12 (0.58) KDM4EALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9964552-B2 Mass spectrometric identification and/or quantitation of catecholamines using aminopyrazoles DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2018-05-08 — — US claimed
US-20160305969-A1 MASS SPECTROMETRIC IDENTIFICATION AND/OR QUANTITATION OF CATECHOLAMINES USING AMINOPYRAZOLES DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2016-10-20 — — US claimed
EP-3063540-A1 MASS SPECTROMETRIC IDENTIFICATION AND/OR QUANTITATION OF CATECHOLAMINES USING AMINOPYRAZOLES DH Technologies Development PTE. Ltd. (SG) 2016-09-07 — — EP claimed
WO-2015063563-A1 MASS SPECTROMETRIC IDENTIFICATION AND/OR QUANTITATION OF CATECHOLAMINES USING AMINOPYRAZOLES DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2015-05-07 — — WO claimed
WO-2023102567-A2 GRAFTABLE BIOCIDAL LINKERS AND POLYMERS AND USES THEREOF DEBOGY MOLECULAR, INC. (US) 2023-06-08 — — WO disclosed
CN-115988962-A Graftable biocidal linkers and polymers and uses thereof 德保吉分子公司 2023-04-18 — — CN disclosed
US-9964552-B2 Mass spectrometric identification and/or quantitation of catecholamines using aminopyrazoles DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2018-05-08 — — US disclosed
US-9964552-B2 Mass spectrometric identification and/or quantitation of catecholamines using aminopyrazoles DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2018-05-08 — — US disclosed
US-9964552-B2 Mass spectrometric identification and/or quantitation of catecholamines using aminopyrazoles DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2018-05-08 — — US disclosed
US-20160305969-A1 MASS SPECTROMETRIC IDENTIFICATION AND/OR QUANTITATION OF CATECHOLAMINES USING AMINOPYRAZOLES DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2016-10-20 — — US disclosed
US-20160305969-A1 MASS SPECTROMETRIC IDENTIFICATION AND/OR QUANTITATION OF CATECHOLAMINES USING AMINOPYRAZOLES DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2016-10-20 — — US disclosed
EP-3063540-A1 MASS SPECTROMETRIC IDENTIFICATION AND/OR QUANTITATION OF CATECHOLAMINES USING AMINOPYRAZOLES DH Technologies Development PTE. Ltd. (SG) 2016-09-07 — — EP disclosed
US-20140329907-A1 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-11-06 — — US disclosed
US-20140329907-A1 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-11-06 — — US disclosed
US-20140329907-A1 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-11-06 — — US disclosed
US-20120022086-A1 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS EMORY UNIVERSITY (US) 2012-01-26 — — US disclosed
US-20120022086-A1 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS EMORY UNIVERSITY (US) 2012-01-26 — — US disclosed
US-20120022086-A1 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS EMORY UNIVERSITY (US) 2012-01-26 — — US disclosed
WO-2010107866-A2 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS EMORY UNIVERSITY (US) 2010-09-23 — — WO disclosed
WO-2010107866-A2 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS EMORY UNIVERSITY (US) 2010-09-23 — — WO 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 (3 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-20120022086-A1 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS BDNF, NTRK2, COMT KDM4E 2077/4885USP2 3473/4885ALDH1A1 412/4885
US-20160305969-A1 MASS SPECTROMETRIC IDENTIFICATION AND/OR QUANTITATION OF CATECHOLAMINES USING AMINOPYRAZOLES AADAT, AASDHPPT, AANAT KDM4E 1414/4885USP2 4006/4885ALDH1A1 392/4885
US-20140329907-A1 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS BDNF, NTRK2, COMT KDM4E 2077/4885USP2 3473/4885ALDH1A1 412/4885

“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.

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