SCHEMBL542609

SCHEMBL542609

Clc1ccc(Cc2cc[c]cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.44
TAAR1 Q96RJ0 2/20 0.41
LMNA P02545 1/20 0.40
CYP2A6 P11509 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
AGXT P21549 2/20 0.39
SLC6A4 P31645 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HSP90AB1 P08238 1/20 0.38
DAO P14920 2/20 0.37
LTA4H P09960 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL1176609 0.87 ALDH1A1 (0.45) LMNAKMT2AALDH1A1LTA4H
SCHEMBL3036816 0.85 TAAR1 (0.52) IDO1TAAR1LMNACYP2A6AGXT
SCHEMBL27182261 0.84 CALM1 (0.52) LMNAMEN1MAPTKMT2AALDH1A1
SCHEMBL320687 0.84 CALM1 (0.44) KMT2AALDH1A1
SCHEMBL1106684 0.84 IDO1 (0.58) IDO1TAAR1LMNACYP2A6MEN1
SCHEMBL4574058 0.79 CHRM2 (0.53) MEN1KMT2AALDH1A1
SCHEMBL8524725 0.78 SLC6A2 (0.49) IDO1TAAR1LMNASLC6A4ALDH1A1
SCHEMBL3032392 0.76 SLC6A2 (0.53) IDO1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL8900207 0.76 SIGMAR1 (0.37) IDO1TAAR1LMNAMEN1MAPT
SCHEMBL3022914 0.76 PNMT (0.50) IDO1TAAR1AGXTDAOLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107382884-A Synthesis method of beta-iodo-N-alkoxy benzotriazole compound 浙江工业大学 2017-11-24 CN claimed
CN-107382821-A Synthesis method of beta-iodine-N-alkoxy amine compound 浙江工业大学 2017-11-24 CN claimed
CN-106187858-A A kind of synthetic method of β iodine N alkoxyamine compounds 浙江工业大学 2016-12-07 CN claimed
CN-107382884-B Synthesis method of beta-iodo-N-alkoxy benzotriazole compound 浙江工业大学 2020-10-09 CN disclosed
CN-111377923-A Pyrido [3',2':6, 7] azepino [4,3,2-cd ] isoindolone derivatives and application thereof 中国药科大学 2020-07-07 CN disclosed
CN-107382821-B Synthesis method of β -iodine-N-alkoxy amine compound 浙江工业大学 2020-02-21 CN disclosed
CN-107382884-A Synthesis method of beta-iodo-N-alkoxy benzotriazole compound 浙江工业大学 2017-11-24 CN disclosed
CN-107382821-A Synthesis method of beta-iodine-N-alkoxy amine compound 浙江工业大学 2017-11-24 CN disclosed
CN-107382887-A Method for synthesizing N-alkenyloxy benzotriazoles compound 浙江工业大学 2017-11-24 CN disclosed
CN-106187858-A A kind of synthetic method of β iodine N alkoxyamine compounds 浙江工业大学 2016-12-07 CN disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
EP-0524419-A1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 EP disclosed
US-4483999-A Phenoxy alkanoic acid derivatives having the ability to lower the level of fatty substances in the blood SIEGFRIED AKTIENGESELLSCHAFT (CH) 1984-11-20 US disclosed
EP-0007347-B1 ALKYLENGLYCOL COMPOUNDS FOR LOWERING THE LIPID CONTENT AND PROCESSES FOR THE PREPARATION THEREOF SIEGFRIED AKTIENGESELLSCHAFT (CH) 1981-12-30 EP disclosed
US-4275068-A (BENZYLPHENOXY)-ALKANOLS AS ANTICHOLESTEROL AND ANTILIPEMIC AGENTS SIEGFRIED AG (CH) 1981-06-23 US disclosed
EP-0007347-A1 Alkylenglycol compounds for lowering the lipid content and processes for the preparation thereof. SIEGFRIED AG (CH) 1980-02-06 EP disclosed
US-4182902-A P-(P'-CHLOROBENZYL) PHENOXYACETIC ACID SIEGFRIED AKTIENGESELLSCHAFT (CH) 1980-01-08 US disclosed
US-4153803-A Cholesterol-lowering phenoxyalkanoic acid esters SIEGFRIED AKTIENGESELLSCHAFT (CH) 1979-05-08 US disclosed
WO-1979000116-A1 NEW GLYCOL COMPOUNDS FOR LOWERING THE LIPID CONTENT SIEGFRIED AG (CH) 1979-03-08 WO disclosed
US-4115393-A Pyridyl alkyl esters of substituted phenoxy alkanoic acids having the ability to reduce the level of fatty substances in the blood SIEGFRIED AKTIENGESELLSCHAFT (CH) 1978-09-19 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 (1 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-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 IDO1 4088/4885TAAR1 878/4885LMNA 3840/4885

“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.