SCHEMBL1531966

SCHEMBL1531966

Clc1ccc(Cc2[c]cccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
IDO1 P14902 2/20 0.37
LMNA P02545 2/20 0.36
TAAR1 Q96RJ0 2/20 0.35
MAPT P10636 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PRNP P04156 1/20 0.34
TNF P01375 2/20 0.34
NOD2 Q9HC29 2/20 0.34
NOD1 Q9Y239 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7705052 0.94 CYP1A2 (0.43) SIGMAR1IDO1LMNATAAR1MAPT
SCHEMBL79754 0.83 CALM1 (0.50) IDO1LMNAMAPTCYP3A4KDM4E
SCHEMBL1532140 0.82 TACR1 (0.33) SIGMAR1IDO1TAAR1MEN1KMT2A
SCHEMBL1531987 0.80 IDO1 (0.37) IDO1LMNATAAR1MAPTMEN1
SCHEMBL4390802 0.80 APP (0.37) IDO1CYP3A4
SCHEMBL8791282 0.80 ESR1 (0.50) SIGMAR1IDO1LMNATAAR1MAPT
SCHEMBL8939729 0.80 TAAR1 (0.43) IDO1LMNATAAR1MEN1KMT2A
SCHEMBL6353303 0.80 IDO1 (0.37) IDO1LMNATAAR1MAPTMEN1
SCHEMBL17956849 0.80 CYP3A4 (0.50) SIGMAR1LMNAMAPTCYP3A4ALDH1A1
SCHEMBL28044480 0.80 TSHR (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-106543065-B A kind of 4- trifluoromethyl -2,4- bis- replaces -2,5- dihydro pyrrole derivates and its preparation method and application 华东师范大学 2019-06-11 CN disclosed
CN-106543065-A 2,4 2 replacement of a kind of 4 trifluoromethyl, 2,5 dihydro pyrrole derivates and its preparation method and application 华东师范大学 2017-03-29 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
CN-101522657-B STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2014-10-15 CN disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
CN-1993339-B Aromatic compound OTSUKA PHARMA CO LTD 2013-05-22 CN disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
US-5948786-A BLOCKING TUMOR NECROSIS FACTOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-09-07 US disclosed
US-4567268-A Process for preparation of certain tetrahydrofuro[3,4-b]pyridines MERCK & CO., INC. (US) 1986-01-28 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

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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 SIGMAR1 52/4885IDO1 247/4885LMNA 2721/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 SIGMAR1 549/4885IDO1 1514/4885LMNA 4742/4885

“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.