SCHEMBL1745429

SCHEMBL1745429

ClCc1cccc(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.55
AOC3 Q16853 3/20 0.44
GGPS1 O95749 2/20 0.44
MAOA P21397 2/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CYP19A1 P11511 1/20 0.44
PRKCI P41743 1/20 0.44
TSHR P16473 1/20 0.44
BCL2 P10415 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM1A O60341 1/20 0.42

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
Water SCHEMBL28572120 0.98 AGXT (0.53) AGXTAOC3GGPS1MAOACYP11B1
SCHEMBL16675040 0.96 AGXT (0.52) AGXTAOC3GGPS1MAOACYP11B1
SCHEMBL16675053 0.96 AGXT (0.52) AGXTAOC3GGPS1MAOACYP11B1
SCHEMBL1310731 0.93 TSHR (0.48) AGXTAOC3GGPS1TAAR1HRH3
SCHEMBL1309244 0.88 TAAR1 (0.48) AGXTGGPS1TAAR1PRKCITSHR
SCHEMBL14590080 0.87 AGXT (0.45) AGXTAOC3GGPS1MAOATAAR1
SCHEMBL13857073 0.86 TSHR (0.44) AGXTTAAR1HRH3PRKCITSHR
Biphenyl SCHEMBL27563359 0.85 ALDH1A1 (0.53) AGXTTAAR1CYP19A1TSHRALDH1A1
SCHEMBL3832589 0.85 TAAR1 (0.50) AGXTAOC3TAAR1PRKCI
SCHEMBL5486041 0.83 GRIN2D (0.47) AGXTMAOACYP11B1CYP11B2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218377-A A kind of Hydroxytyrosol NO donor derivative and its preparation method and application UNIV XI AN JIAOTONG 2016-01-06 CN claimed
CN-103155949-A Pesticidal mixtures BASF SE 2013-06-19 CN claimed
US-20230331654-A1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-10-19 US disclosed
CN-109970635-B Preparation method and application of aminopyridine derivative 万华化学集团股份有限公司 2020-07-28 CN disclosed
CN-111377849-A Compound, pharmaceutically acceptable salt thereof and medical application thereof 中国人民解放军军事科学院军事医学研究院 2020-07-07 CN disclosed
US-20200040025-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY 2020-02-06 US disclosed
CN-109970635-A A kind of aminopyrazole derivatives preparation method and applications 万华化学集团股份有限公司 2019-07-05 CN disclosed
WO-2018058148-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY (US) 2018-03-29 WO disclosed
CN-105594717-A Pesticidal mixture BASF SE 2016-05-25 CN disclosed
CN-105218377-A A kind of Hydroxytyrosol NO donor derivative and its preparation method and application UNIV XI AN JIAOTONG 2016-01-06 CN disclosed
CN-104604873-A Fungicidal mixtures containing substituted 1-methyl pyrazol-4-yl carboxylic acid anilides BASF AG 2015-05-13 CN disclosed
US-5578634-A SEPTIC SHOCK TREATMENT ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
CN-1130180-A Amino (thio) ether derivative MERCK PATENT AG (DE) 1996-09-04 CN disclosed
WO-1996016058-A1 AMINOMETHYL ARYL COMPOUNDS; DOPAMINE RECEPTOR SUBTYPE SELECTIVE LIGANDS NEUROGEN CORPORATION (US) 1996-05-30 WO disclosed
EP-0707007-A1 Amino(thio)ether derivatives as CNS active agents MERCK PATENT GmbH (DE) 1996-04-17 EP disclosed
EP-0675110-A1 1H-Indole-3-glyoxylamide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1995-10-04 EP disclosed
CN-1098714-A The 1H-indole-3-acetic acid hydrazide spla 2 inhibitors LILLY CO ELI (US) 1995-02-15 CN disclosed
EP-0620214-A1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed
US-4668792-A Intermediates to insecticidal [1,1'-biphenyl]-3-ylmethyl esters FMC CORPORATION (US) 1987-05-26 US disclosed
US-4139631-A VASODILATORS, ANTISPASMODICS BOTTU (FR) 1979-02-13 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-20230331654-A1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF OCIAD1, OCIAD2, ORAI2 AGXT 3684/4885AOC3 270/4885GGPS1 1170/4885
US-20200040025-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE P2RY6, UPP1, UMPS AGXT 4247/4885AOC3 2731/4885GGPS1 437/4885

“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.