SCHEMBL3225337

SCHEMBL3225337

C[C@H](Oc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.67
KMT2A Q03164 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TSHR P16473 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
HTR2B P41595 1/20 0.57
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
CYP1A2 P05177 1/20 0.54
GAA P10253 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
CYP2C19 P33261 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
KDM4E B2RXH2 2/20 0.48
GHSR Q92847 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
SCHEMBL133950 1.00 OGG1 (0.67) OGG1KMT2AL3MBTL1TSHRHTR2A
SCHEMBL5693377 1.00 OGG1 (0.67) OGG1KMT2AL3MBTL1TSHRHTR2A
SCHEMBL29368187 1.00 OGG1 (0.67) OGG1KMT2AL3MBTL1TSHRHTR2A
Chlorobenzene SCHEMBL28180491 0.87 CYP1A2 (0.66) OGG1KMT2ATSHRHTR2AHTR2C
SCHEMBL11948889 0.86 OGG1 (0.67) OGG1KMT2AL3MBTL1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL20560503 0.85 OGG1 (0.51) OGG1KMT2AL3MBTL1TSHRHTR2A
SCHEMBL5804600 0.84 OGG1 (0.69) OGG1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL17276069 0.84 OGG1 (0.69) OGG1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL29546237 0.84 OGG1 (0.69) OGG1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL9780822 0.83 TDP1 (0.55) OGG1KMT2AL3MBTL1TSHRHTR2A

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-20080114168-A1 Novel esters as useful broad spectrum herbicidal compounds CORET JOEL M 2008-05-15 US claimed
EP-1576194-B1 BACTERIAL STRAINS OF DELFTIA ACIDOVORANS MC1-R, THEIR PRODUCTION AND THEIR USE IN THE PRODUCTION OF THE R ENANTIOMERS OF 2-PHENOXYPROPIONIC ACID DERIVATIVES UFZ LEIPZIGHALLE GMBH (DE) 2006-05-31 EP claimed
EP-1576147-B1 BACTERIAL STRAINS DELFTIA ACIDOVORANS MC1-S, PRODUCTION AND USE THEREOF FOR THE PRODUCTION OF THE S ENANTIOMERS OF 2-PHENOXYPROPIONIC ACID DERIVATIVES UFZ LEIPZIGHALLE GMBH (DE) 2006-05-24 EP claimed
WO-2006009964-A2 NOVEL ESTERS AS USEFUL HERBICIDAL COMPOUNDS CORET JOEL MARCEL (US) 2006-01-26 WO claimed
WO-2006009937-A2 NOVEL ESTERS AS USEFUL BROAD SPECTRUM HERBICIDAL COMPOUNDS CORET JOEL MARCEL (US) 2006-01-26 WO claimed
US-20050282708-A1 Novel esters as useful herbicidal compounds CORET JOEL M 2005-12-22 US claimed
EP-3090632-A1 NEW USES OF CHOLINE CHLORIDE IN AGROCHEMICAL FORMULATIONS Rhodia Operations (FR) 2016-11-09 EP disclosed
US-8962004-B2 Encapsulated triazinyl sulfonylurea herbicide and methods of use ARYSTA LIFESCIENCE NORTH AMERICA, LLC (US) 2015-02-24 US disclosed
US-20140194289-A1 New Uses of Choline Chloride in Agrochemical Formulations RHODIA OPERATIONS (FR) 2014-07-10 US disclosed
US-20120309621-A1 ENCAPSULATED TRIAZINYL SULFONYLUREA HERBICIDE AND METHODS OF USE ARYSTA LIFESCIENCE NORTH AMERICA, LLC (US) 2012-12-06 US disclosed
US-8293683-B2 Alkylamidopropyl dialkylamine surfactants as adjuvants AKZO NOBEL N.V. (NL) 2012-10-23 US disclosed
EP-2505061-A1 New uses of choline chloride in agrochemical formulations Rhodia Opérations (FR) 2012-10-03 EP disclosed
WO-2012113830-A1 NEW USES OF CHOLINE CHLORIDE IN AGROCHEMICAL FORMULATIONS RHODIA OPERATIONS (FR) 2012-08-30 WO disclosed
EP-1576147-B1 BACTERIAL STRAINS DELFTIA ACIDOVORANS MC1-S, PRODUCTION AND USE THEREOF FOR THE PRODUCTION OF THE S ENANTIOMERS OF 2-PHENOXYPROPIONIC ACID DERIVATIVES UFZ LEIPZIGHALLE GMBH (DE) 2006-05-24 EP disclosed
WO-2006009964-A2 NOVEL ESTERS AS USEFUL HERBICIDAL COMPOUNDS CORET JOEL MARCEL (US) 2006-01-26 WO disclosed
WO-2006009937-A2 NOVEL ESTERS AS USEFUL BROAD SPECTRUM HERBICIDAL COMPOUNDS CORET JOEL MARCEL (US) 2006-01-26 WO disclosed
US-20050282708-A1 Novel esters as useful herbicidal compounds CORET JOEL M 2005-12-22 US disclosed
EP-1576147-A1 BACTERIAL STRAINS DELFTIA ACIDOVORANS MC1-S, PRODUCTION AND USE THEREOF FOR THE PRODUCTION OF THE S ENANTIOMERS OF 2-PHENOXYPROPIONIC ACID DERIVATIVES UFZ-UMWELTFORSCHUNGSZENTRUM LEIPZIG-HALLE GMBH (DE) 2005-09-21 EP disclosed
WO-2004055172-A1 BACTERIAL STRAINS DELFTIA ACIDOVORANS MC1-S, PRODUCTION AND USE THEREOF FOR THE PRODUCTION OF THE S ENANTIOMERS OF 2-PHENOXYPROPIONIC ACID DERIVATIVES UFZ-UMWELTFORSCHUNGS ZENTRUM LEIPZIG-HALLE GMBH (DE) 2004-07-01 WO disclosed
US-6365398-B1 REACTING RACEMIC CARBOXYLIC ACID ESTER WITH RACEMIC ALCOHOL IN PRESENCE OF A CARBOXYL ESTER HYDROLASE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 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 (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-20140194289-A1 New Uses of Choline Chloride in Agrochemical Formulations BCHE, ACHE, SLC5A7 OGG1 2736/4885KMT2A 473/4885L3MBTL1 1664/4885
US-20050282708-A1 Novel esters as useful herbicidal compounds NOTUM, DDT, HDHD5 OGG1 3517/4885KMT2A 732/4885L3MBTL1 1835/4885
US-20080114168-A1 Novel esters as useful broad spectrum herbicidal compounds NOTUM, DDT, HDHD5 OGG1 3357/4885KMT2A 802/4885L3MBTL1 2129/4885

“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.