SCHEMBL237672

SCHEMBL237672

CC[N+](C)(CC)CCc1c(C)c2ccc(OC)cc2oc1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.54
ALDH1A1 P00352 8/20 0.54
HPGD P15428 6/20 0.54
HSD17B10 Q99714 6/20 0.54
GAA P10253 3/20 0.54
TP53 P04637 1/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 5/20 0.53
THRB P10828 1/20 0.53
NQO1 P15559 1/20 0.52
STS P08842 1/20 0.52
HSD17B3 P37058 1/20 0.49
POLB P06746 2/20 0.49
STAT1 P42224 1/20 0.49
TSHR P16473 1/20 0.48
ACHE P22303 1/20 0.48
MAOB P27338 1/20 0.48
GLA P06280 1/20 0.47

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
SCHEMBL7141194 0.84 CYP2C9 (0.63) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL3175714 0.83 HSD17B3 (0.72) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8745753 0.81 NQO1 (0.61) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL18766190 0.81 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL29699265 0.81 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL7141692 0.80 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL29944843 0.80 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL24627780 0.78 MAPT (0.72) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8745770 0.76 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL22733326 0.76 KDM4E (0.77) KDM4EALDH1A1HPGDHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095032-B1 REAGENTS FOR CYP2D FLUORESCENT ASSAY GENTEST CORP (US) 2003-12-10 EP claimed
EP-1095032-A1 NOVEL CYP2D FLUORESCENT ASSAY REAGENTS GENTEST CORPORATION (US) 2001-05-02 EP claimed
US-6130342-A A 2-OXOCHROMAN COMPOUND CONTAINING A QUATERNARY AMINE GROUP GENTEST CORPORATION (US) 2000-10-10 US claimed
WO-2000004008-A1 NOVEL CYP2D FLUORESCENT ASSAY REAGENTS GENTEST CORPORATION (US) 2000-01-27 WO claimed
EP-4379062-A1 BIOSYSTEM FOR PESTICIDE DETECTION Fundación AZTI - AZTI Fundazioa (ES) 2024-06-05 EP disclosed
US-20240175069-A1 BIOSYSTEM FOR PESTICIDE DETECTION Fundación AZTI – AZTI Fundazioa (ES) 2024-05-30 US disclosed
US-20240150297-A1 NOVEL COMPOUNDS COMPRISING A NEW CLASS OF TRANSTHYRETIN LIGANDS FOR TREATMENT OF COMMON AGE-RELATED COMORBIDITIES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2024-05-09 US disclosed
WO-2024064178-A1 HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLINE VMAT2 INHIBITORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2024-03-28 WO disclosed
WO-2022266394-A9 NOVEL ISOMEROHYDROLASE INHIBITOR FOR TREATMENT OF ATROPHIC FORM OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2024-01-04 WO disclosed
EP-4291191-A1 NOVEL COMPOUNDS COMPRISING A NEW CLASS OF TRANSTHYRETIN LIGANDS FOR TREATMENT OF COMMON AGE-RELATED COMORBIDITIES The Trustees Of Columbia University In The City Of New York (US) 2023-12-20 EP disclosed
EP-4271830-A1 BIOSYSTEMS TO DETECT CHEMICAL CONTAMINANTS Fundacion Azti/Azti Fundazioa (ES) 2023-11-08 EP disclosed
US-20230348415-A1 BISPECIFIC ANTAGONISTS OF RETINOL-BINDING PROTEIN 4 THAT STABILIZE TRANSTHYRETIN TETRAMERS, THEIR PREPARATION, AND USE IN THE TREATMENT OF COMMON AGE-RELATED COMORBIDITIES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-11-02 US disclosed
US-20030054974-A1 Non-oxidatively metabolized compounds and compositions, synthetic pathways therefor, and uses thereof ARYX THERAPEUTICS 2003-03-20 US disclosed
WO-2003017946-A2 NON-OXIDATIVELY METABOLIZED COMPOUNDS AND COMPOSITIONS, SYNTHETIC PATHWAYS THEREFOR, AND USES THEREOF ARYX THERAPEUTICS (US) 2003-03-06 WO disclosed
US-20030027798-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2003-02-06 US disclosed
US-20020045620-A1 Isoxazolidine compounds useful in the treatment of diabetes, hyperlipidemia, and atherosclerosis in mammals MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2002-04-18 US disclosed
WO-2002024689-A1 ISOXAZOLIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DIABETES, HYPERLIPIDEMIA, AND ATHEROSCLEROSIS ARYX THERAPEUTICS (US) 2002-03-28 WO disclosed
EP-1095032-A1 NOVEL CYP2D FLUORESCENT ASSAY REAGENTS GENTEST CORPORATION (US) 2001-05-02 EP disclosed
US-6130342-A A 2-OXOCHROMAN COMPOUND CONTAINING A QUATERNARY AMINE GROUP GENTEST CORPORATION (US) 2000-10-10 US disclosed
WO-2000004008-A1 NOVEL CYP2D FLUORESCENT ASSAY REAGENTS GENTEST CORPORATION (US) 2000-01-27 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 (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-20030054974-A1 Non-oxidatively metabolized compounds and compositions, synthetic pathways therefor, and uses thereof CYP11B1, CYP11B2, CYP27A1 KDM4E 3972/4885ALDH1A1 241/4885HPGD 79/4885
US-20020045620-A1 Isoxazolidine compounds useful in the treatment of diabetes, hyperlipidemia, and atherosclerosis in mammals LIPA, PNLIP, PCSK9 KDM4E 1894/4885ALDH1A1 423/4885HPGD 518/4885
US-20230348415-A1 BISPECIFIC ANTAGONISTS OF RETINOL-BINDING PROTEIN 4 THAT STABILIZE TRANSTHYRETIN TETRAMERS, THEIR PREPARATION, AND USE IN THE TREATMENT OF COMMON AGE-RELATED COMORBIDITIES TTR, RBP4, RBP1 KDM4E 4275/4885ALDH1A1 2655/4885HPGD 4771/4885
US-20240150297-A1 NOVEL COMPOUNDS COMPRISING A NEW CLASS OF TRANSTHYRETIN LIGANDS FOR TREATMENT OF COMMON AGE-RELATED COMORBIDITIES TTR, APOB, TSHR KDM4E 4425/4885ALDH1A1 2564/4885HPGD 4617/4885
US-20030027798-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP KDM4E 2728/4885ALDH1A1 525/4885HPGD 441/4885

“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.