SCHEMBL1324243

SCHEMBL1324243

Cc1ccc(OCC(=O)O)c(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.70
TSHR P16473 1/20 0.67
CYP2C19 P33261 1/20 0.65
PTGDR2 Q9Y5Y4 4/20 0.62
MRGPRX4 Q96LA9 1/20 0.56
PPARG P37231 1/20 0.56
KDM4E B2RXH2 2/20 0.55
MCL1 Q07820 1/20 0.53
MAPT P10636 1/20 0.51
PPARD Q03181 1/20 0.51
FFAR1 O14842 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL16742711 0.90 TDP1 (0.60) TDP1TSHRCYP2C19PTGDR2KDM4E
SCHEMBL320418 0.87 PTGDR2 (0.66) TDP1TSHRCYP2C19PTGDR2KDM4E
SCHEMBL15445592 0.83 TSHR (0.71) TDP1TSHRCYP2C19MRGPRX4PPARG
SCHEMBL10359783 0.83 PPARG (0.67) TDP1TSHRCYP2C19PTGDR2MRGPRX4
2,4-Dichlorophenoxyacetic Acid SCHEMBL23242752 0.83 TDP1 (0.93) TDP1TSHRCYP2C19PTGDR2MAPT
SCHEMBL17269686 0.83 POLB (0.64) TDP1TSHRCYP2C19PTGDR2KDM4E
SCHEMBL5275178 0.83 POLB (0.64) TDP1TSHRCYP2C19PTGDR2KDM4E
SCHEMBL3203787 0.83 TDP1 (0.70) TDP1TSHRCYP2C19PTGDR2PPARD
SCHEMBL2113005 0.82 PTGDR2 (0.64) TDP1TSHRPTGDR2MRGPRX4PPARG
2,4-Dichlorophenoxyacetic Acid SCHEMBL27783 0.82 TDP1 (1.00) TDP1TSHRCYP2C19PTGDR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200107547-A1 Carbamoyl Triazolinone Based Herbicide Combinations and Method of Use ARYSTA LIFESCIENCE CORP (JP) 2020-04-09 US claimed
CN-101027279-B Synthesis of tetracyclines and analogues thereof HARVARD COLLEGE 2013-03-27 CN claimed
WO-2010143071-A2 CARBAMOYL TRIAZOLINONE BASED HERBICIDE COMBINATIONS AND METHODS OF USE ARYSTA LIFESCIENCE CORPORATION (JP) 2010-12-16 WO claimed
US-20100311589-A1 CARBAMOYL TRIAZOLINONE BASED HERBICIDE COMBINATIONS AND METHOD OF USE ARYSTA LIFESCIENCE CORPORATION (JP) 2010-12-09 US claimed
US-20100184599-A1 HERBICIDE COMPOSITION COMPRISING HERBICIDE COMPOUND IN ACID FORM AND ACIDIFYING AGENT PLATTE CHEMICAL COMPANY (US) 2010-07-22 US claimed
JP-58164501-A None JP disclosed
JP-58057303-A None JP disclosed
CN-117751114-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-22 CN disclosed
US-11917994-B2 Carbamoyl triazolinone based herbicide combinations and method of use ARYSTA LIFESCIENCE CORPORATION (JP) 2024-03-05 US disclosed
CN-117642404-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-01 CN disclosed
US-20230165815-A1 ROLES OF MODULATORS OF INTERSECTIN-CDC42 SIGNALING IN ALZHEIMER?S DISEASE Lu, Qun (US) 2023-06-01 US disclosed
US-20220378047-A1 CARBAMOYL TRIAZOLINONE BASED HERBICIDE COMBINATIONS AND METHODS OF USE ARYSTA LIFESCIENCE CORP (JP) 2022-12-01 US disclosed
US-4261729-A Herbicidal compositions and pyrazole derivatives SANKYO COMPANY LIMITED (JP) 1981-04-14 US disclosed
US-4146726-A HERBICIDES SANKYO COMPANY LIMITED (JP) 1979-03-27 US disclosed
US-4063925-A Herbicidal compositions SANKYO COMPANY LIMITED (JA) 1977-12-20 US disclosed
US-4060402-A HERBICIDE SANKYO COMPANY LIMITED (JA) 1977-11-29 US disclosed
US-4052395-A AGRICULTURAL FUNGICIDAL COMPOSITIONS CONTAINING 6-(SUBSTITUTED PHENYL)-PYRIDAZINONES AND SAID PYRIDAZINONES SANKYO COMPANY LIMITED (JA) 1977-10-04 US disclosed
US-4044018-A Isoxazolone derivatives, their preparation and their use as plant growth regulators SANKYO COMPANY LIMITED (JA) 1977-08-23 US disclosed
US-4036631-A Pyrazolone derivatives and their use as herbicides SANKYO COMPANY LIMITED (JA) 1977-07-19 US disclosed
US-3940260-A TRICHLOROACETIC ACID, ESTERS OR SALTS AND 2,4-DICHLORO- OR 2,4,5-TRICHLORO- PHENOXYACETIC ACID, ESTERS OR SALTS AMCHEM PRODUCTS, INC. (US) 1976-02-24 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 (6 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-20100184599-A1 HERBICIDE COMPOSITION COMPRISING HERBICIDE COMPOUND IN ACID FORM AND ACIDIFYING AGENT DDT, CA3, DNPH1 TDP1 2589/4885TSHR 2534/4885CYP2C19 658/4885
US-11917994-B2 Carbamoyl triazolinone based herbicide combinations and method of use DDT, NOTUM, WEE1 TDP1 2192/4885TSHR 1520/4885CYP2C19 453/4885
US-20220378047-A1 CARBAMOYL TRIAZOLINONE BASED HERBICIDE COMBINATIONS AND METHODS OF USE DDT, NOTUM, WEE1 TDP1 2074/4885TSHR 1534/4885CYP2C19 626/4885
US-20200107547-A1 Carbamoyl Triazolinone Based Herbicide Combinations and Method of Use DDT, NOTUM, WEE1 TDP1 2192/4885TSHR 1520/4885CYP2C19 453/4885
US-20230165815-A1 ROLES OF MODULATORS OF INTERSECTIN-CDC42 SIGNALING IN ALZHEIMER?S DISEASE CDC42, MDN1, GAP43 TDP1 1980/4885TSHR 3939/4885CYP2C19 4585/4885
US-20100311589-A1 CARBAMOYL TRIAZOLINONE BASED HERBICIDE COMBINATIONS AND METHOD OF USE DDT, NOTUM, WEE1 TDP1 2192/4885TSHR 1520/4885CYP2C19 453/4885

“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.