SCHEMBL4449250

SCHEMBL4449250

Cc1c(-c2ccccc2)c(=O)oc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 1/20 0.68
KDM4E B2RXH2 8/20 0.54
ALDH1A1 P00352 6/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.54
STAT1 P42224 1/20 0.54
CYP1B1 Q16678 2/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
MAOB P27338 1/20 0.50
CLK4 Q9HAZ1 2/20 0.49
PDGFRA P16234 1/20 0.49
MAPK8 P45983 1/20 0.49
CDK5 Q00535 1/20 0.49
MAPT P10636 4/20 0.48
CYP3A4 P08684 3/20 0.48
HSD17B10 Q99714 3/20 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
Coumarin SCHEMBL9330710 0.87 ERAP1 (0.54) ERAP1KDM4EALDH1A1KMT2ANPC1
SCHEMBL7121658 0.87 CA1 (0.56) ERAP1KDM4EALDH1A1KMT2ANPC1
SCHEMBL19484976 0.86 CYP1B1 (0.60) ERAP1KDM4EALDH1A1KMT2ANPC1
SCHEMBL28721778 0.84 ERAP1 (0.51) ERAP1KDM4EALDH1A1KMT2ANPC1
SCHEMBL7117054 0.84 MAOB (0.72) ERAP1KDM4EALDH1A1KMT2ANPC1
SCHEMBL14307644 0.83 ERAP1 (0.61) ERAP1KDM4EALDH1A1KMT2ANPC1
SCHEMBL1800595 0.83 CA1 (0.56) ERAP1KDM4EALDH1A1KMT2ANPC1
SCHEMBL13769238 0.81 MAOB (0.53) ERAP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL3400662 0.81 ERAP1 (0.58) ERAP1KDM4EALDH1A1KMT2ANPC1
SCHEMBL5425943 0.81 ERAP1 (0.79) ERAP1KDM4EALDH1A1KMT2ANPC1

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-9127092-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2015-09-08 US claimed
US-20140187725-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2014-07-03 US claimed
EP-1931345-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS National Jewish Medical and Research Center (US) 2008-06-18 EP claimed
WO-2007024741-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2007-03-01 WO claimed
US-20060058245-A1 Identifying a subject at risk of developing Beryllium Disease; contacting cells with an agent to increase transport of thiol-containing compound; modulating secretion of thiol-containing compound(s); attenuating the disease NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2006-03-16 US claimed
EP-1562563-A4 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NAT JEWISH MED & RES CENTER (US) 2005-12-28 EP claimed
EP-1562563-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS National Jewish Medical and Research Center (US) 2005-08-17 EP claimed
WO-2004042020-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2004-05-21 WO claimed
US-20040087527-A1 Cystic fibrosis therapy; ATP-binding cassette transport modulation; glutathione concentration in epithelial lining fluid of lower respiratory tract NATIONAL JEWISH MEDICAL AND RESEARCH CENTER 2004-05-06 US claimed
CN-114349729-B Coumarin derivative and preparation method and application thereof 包头稀土研究院 2023-07-18 CN disclosed
CN-114349729-A Coumarin derivative and preparation method and application thereof 包头稀土研究院 2022-04-15 CN disclosed
WO-2021070131-A1 COMBINATION OF PHOTOINITIATORS AND USES THEREOF IGM RESINS ITALIA S.R.L. (IT) 2021-04-15 WO disclosed
CN-107973768-B Method for synthesizing coumarin compound in one step 江苏欣诺科催化剂有限公司 2020-11-10 CN disclosed
CN-108409748-A A kind of cumarin simultaneously [4,3-d] pyrazolo [3,4-b] pyridine derivate and its synthetic method 苏州大学 2018-08-17 CN disclosed
EP-1309333-A2 PLANT-DERIVED AND SYNTHETIC PHENOLIC COMPOUNDS AND PLANT EXTRACTS, EFFECTIVE IN THE TREATMENT AND PREVENTION OF CHLAMYDIAL INFECTIONS Control-Ox OY (FI) 2003-05-14 EP disclosed
WO-2002014464-A2 PLANT-DERIVED AND SYNTHETIC PHENOLIC COMPOUNDS AND PLANT EXTRACTS, EFFECTIVE IN THE TREATMENT AND PREVENTION OF CHLAMYDIAL INFECTIONS CONTROL-OX OY (FI) 2002-02-21 WO disclosed
US-6255497-B1 DAIDZIN DERIVATIVES AS ENZYME INHIBITORS OF ALDEHYDE DEHYDROGENASE; USEFUL IN TREATING ALCOHOLISM THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. 2001-07-03 US disclosed
US-5886028-A REDUCING ALCOHOL CONSUMPTION BY ADMINISTERING AN ENZYME INHIBITOR THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1999-03-23 US disclosed
US-5624910-A INHIBITING ALDEHYDE DEHYRDOGENASE ACTIVITY USING DAIDZIN THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1997-04-29 US disclosed
US-5204369-A METHOD FOR THE INHIBITION OF ALDH-I USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY (US) 1993-04-20 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 (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-20040087527-A1 Cystic fibrosis therapy; ATP-binding cassette transport modulation; glutathione concentration in epithelial lining fluid of lower respiratory tract ABCC1, CFTR, ABCC2 ERAP1 570/4885KDM4E 4861/4885ALDH1A1 401/4885
US-20060058245-A1 Identifying a subject at risk of developing Beryllium Disease; contacting cells with an agent to increase transport of thiol-containing compound; modulating secretion of thiol-containing compound(s); attenuating the disease ABCC2, CFTR, ABCC1 ERAP1 1455/4885KDM4E 4810/4885ALDH1A1 1178/4885

“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.