SCHEMBL716437

SCHEMBL716437

COc1ccc(C2CCCC(=O)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
MAPK1 P28482 1/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
ESR2 Q92731 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
DRD2 P14416 1/20 0.42
MAP2K3 P46734 1/20 0.41
THRB P10828 1/20 0.41
HCRTR1 O43613 1/20 0.41

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
SCHEMBL19010044 1.00 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL27471526 0.90 ALDH1A1 (0.54) ALDH1A1KMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL2044509 0.90 ALDH1A1 (0.54) ALDH1A1KMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL2044506 0.90 ALDH1A1 (0.54) ALDH1A1KMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL22204489 0.83 PDE4A (0.48) ALDH1A1KMT2AMEN1MAPK1PDE4A
SCHEMBL20801909 0.83 PDE4A (0.48) ALDH1A1KMT2AMEN1MAPK1PDE4A
SCHEMBL20801960 0.83 PDE4A (0.48) ALDH1A1KMT2AMEN1MAPK1PDE4A
SCHEMBL428339 0.82 ALDH1A1 (0.60) ALDH1A1KMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL20603030 0.81 ESR2 (0.45) ALDH1A1KMT2ASMN1; SMN2MEN1PDE4A
SCHEMBL20620789 0.81 ESR2 (0.45) ALDH1A1KMT2ASMN1; SMN2MEN1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4460492-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE (INSERM) Institut National de la Santé et de la Recherche Médicale (FR) 2024-11-13 EP disclosed
WO-2023131677-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-07-13 WO disclosed
EP-2816040-B1 Process for the production of CCR2 receptor antagonists and intermediates thereof CENTREXION THERAPEUTICS CORP (US) 2018-10-17 EP disclosed
CN-106083757-B 2- pi-allyl -1- oxygen -2,3- dihydro -1,2- benzisothiazoles and its preparation method and application 四川墨凯科技有限公司 2018-05-25 CN disclosed
US-20160229778-A1 DIRECT B-ARYLATION OF CARBONYL COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-08-11 US disclosed
EP-2379525-B1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INT (DE) 2015-07-29 EP disclosed
US-9067951-B2 Process and intermediates for the production of CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-30 US disclosed
EP-2816040-A1 Process for the production of CCR2 receptor antagonists and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 EP disclosed
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-13 US disclosed
US-8835440-B2 Cyclic pyrimidin-4-carboxamides as CCR2 receptor antagonists for treatment of inflammation, asthma and COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-20080200525-A1 PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2008-08-21 US disclosed
US-20070123715-A1 Method of using rhodium quinonoid catalysts BROWN UNIVERSITY 2007-05-31 US disclosed
US-20070123715-A1 Method of using rhodium quinonoid catalysts BROWN UNIVERSITY 2007-05-31 US disclosed
US-20060128670-A1 Pesticidally active ketone and oxime derivatives SYNGENTA CROP PROTECTION, INC. 2006-06-15 US disclosed
EP-1638924-A1 PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES Syngenta Participations AG (CH) 2006-03-29 EP disclosed
WO-2004113273-A1 PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-12-29 WO disclosed
EP-0940387-B1 PHENYLETHANOLAMINE COMPOUNDS USEFUL AS BETA3 AGONIST, PROCESS FOR PRODUCING THE SAME, AND INTERMEDIATES IN THE PRODUCTION OF THE SAME MITSUBISHI PHARMA CORP (JP) 2003-05-07 EP disclosed
US-6069176-A PHENYLETHANOLAMINE COMPOUNDS WITH A BETA-3 ADRENERGIC RECEPTOR STIMULATING EFFECT, USE AS A THERAPY FOR URINARY INCONTINENCE MITSUBISHI-TOKYO PHARMACEUTICALS, INC. (JP) 2000-05-30 US disclosed
EP-0940387-A1 PHENYLETHANOLAMINE COMPOUNDS USEFUL AS BETA3 AGONIST, PROCESS FOR PRODUCING THE SAME, AND INTERMEDIATES IN THE PRODUCTION OF THE SAME TOKYO TANABE COMPANY LIMITED (JP) 1999-09-08 EP disclosed
WO-1998031697-A1 ARYL C-GLYCOSIDE COMPOUNDS AND SULFATED ESTERS THEREOF SANKYO COMPANY, LIMITED (JP) 1998-07-23 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 (5 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-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 ALDH1A1 1952/4885KMT2A 4077/4885SMN1; SMN2 4772/4885
US-20070123715-A1 Method of using rhodium quinonoid catalysts NQO2, NQO1, RECQL ALDH1A1 1550/4885KMT2A 2216/4885SMN1; SMN2 3752/4885
US-20060128670-A1 Pesticidally active ketone and oxime derivatives CHRM2, CHRM1, DDT ALDH1A1 1617/4885KMT2A 1883/4885SMN1; SMN2 571/4885
US-20080200525-A1 PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES CHRM2, FOXO3, CHRM1 ALDH1A1 1934/4885KMT2A 2123/4885SMN1; SMN2 624/4885
US-20160229778-A1 DIRECT B-ARYLATION OF CARBONYL COMPOUNDS DBH, DDT, CBR3 ALDH1A1 985/4885KMT2A 592/4885SMN1; SMN2 4496/4885

“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.