Catechol

Catechol

SCHEMBL844927

OBOCCCBr.Oc1ccccc1O

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
CA12 O43570 1/20 0.39
GMNN O75496 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EGFR P00533 1/20 0.39
CA2 P00918 1/20 0.39
FYN P06241 1/20 0.39
POLB P06746 1/20 0.39
CA3 P07451 1/20 0.39
CYP3A4 P08684 1/20 0.39
MMP9 P14780 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
CA4 P22748 1/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL4957733 0.81
Catechol SCHEMBL7374101 0.81 MAPT (0.39) LMNAMAPTTDP1KDM4ENPC1
Catechol SCHEMBL4962173 0.76 CA2 (0.42) LMNAMAPTTDP1KDM4ENPC1
SCHEMBL2971779 0.72 GAA (0.69) LMNAMAPTCA2HPGDSMN1; SMN2
SCHEMBL844313 0.69
Catechol SCHEMBL29489384 0.67 ALDH1A1 (0.59) LMNAMAPTTDP1KDM4ENPC1
SCHEMBL9121365 0.65 GAA (0.64) LMNAMAPTNPC1ALDH1A1CA2
SCHEMBL8609239 0.65
Catechol SCHEMBL28985421 0.65 ALDH1A1 (0.77) LMNAMAPTTDP1KDM4ENPC1
Catechol SCHEMBL132726 0.65 ALDH1A1 (0.77) LMNAMAPTTDP1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160000857-A1 Method of Regulating Glucose Metabolism, and Reagents Related Thereto NATIONAL INSTITUTES OF HEALTH 2016-01-07 US disclosed
US-9044424-B2 Methods of regulating glucose metabolism, and reagents related thereto 1149336 ONTARIO, INC. (CA) 2015-06-02 US disclosed
EP-2823812-A1 Dipeptidylpeptidase IV inhibitors for use in the treatment of Type II diabetes TRUSTEES OF TUFTS COLLEGE (US) 2015-01-14 EP disclosed
EP-2769715-A2 Methods for treating autoimmune disorders, and reagents related thereto TRUSTEES OF TUFTS COLLEGE (US) 2014-08-27 EP disclosed
US-20140178472-A1 Methods of Regulating Glucose Metabolism, and Reagents Related Thereto TRUSTEES OF TUFTS COLLEGE (US) 2014-06-26 US disclosed
US-8513190-B2 Method of regulating glucose metabolism, and reagents related thereto TRUSTEES OF TUFTS COLLEGE (US) 2013-08-20 US disclosed
EP-2583675-A1 Use of dipeptidylpeptidase inhibitors to regulate glucose metabolism TRUSTEES OF TUFTS COLLEGE (US) 2013-04-24 EP disclosed
EP-2574336-A1 Use of dipeptidylpeptidase inhibitors to regulate glucose metabolism TRUSTEES OF TUFTS COLLEGE (US) 2013-04-03 EP disclosed
US-8410053-B2 Methods for treating autoimmune disorders, and reagents related thereto TRUSTEES OF TUFTS COLLEGE (US) 2013-04-02 US disclosed
US-8318669-B2 Method of regulating glucose metabolism, and reagents related thereto TRUSTEES OF TUFTS COLLEGE (US) 2012-11-27 US disclosed
US-5242904-A Anticoagulant, antiinflammatory THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1993-09-07 US disclosed
WO-1993008259-A2 INHIBITORS OF DIPEPTIDYL-AMINOPEPTIDASE TYPE IV NEW ENGLAND MEDICAL CENTER HOSPITALS, INC. (US) 1993-04-29 WO disclosed
EP-0528858-A4 INHIBITORS OF DIPEPTIDYL-AMINOPEPTIDASE TYPE IV 1993-04-28 EP disclosed
EP-0293881-B1 PEPTIDE BORONIC ACID INHIBITORS OF TRYPSIN-LIKE PROTEASES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-10 EP disclosed
EP-0528858-A1 INHIBITORS OF DIPEPTIDYL-AMINOPEPTIDASE TYPE IV. NEW ENGLAND MEDICAL CENTER INC (US) 1993-03-03 EP disclosed
US-5187157-A Anticoagulant, antiinflammatory agents DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-02-16 US disclosed
WO-1991016339-A1 INHIBITORS OF DIPEPTIDYL-AMINOPEPTIDASE TYPE IV NEW ENGLAND MEDICAL CENTER HOSPITALS, INC. (US) 1991-10-31 WO disclosed
US-4935493-A Protease inhibitors E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-06-19 US disclosed
WO-1989003223-A1 PROTEASE INHIBITORS BACHOVCHIN WILLIAM W (US) 1989-04-20 WO disclosed
EP-0293881-A2 Peptide boronic acid inhibitors of trypsin-like proteases THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1988-12-07 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 (2 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-20140178472-A1 Methods of Regulating Glucose Metabolism, and Reagents Related Thereto LPL, LIPC, GCKR LMNA 976/4885MAPT 2368/4885TDP1 3699/4885
US-20160000857-A1 Method of Regulating Glucose Metabolism, and Reagents Related Thereto LPL, LIPC, LIPE LMNA 1008/4885MAPT 2652/4885TDP1 4073/4885

“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.