SCHEMBL158396

SCHEMBL158396

[c]1ccccc1CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.43
MAOB P27338 4/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KCNH2 Q12809 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
CYP2A6 P11509 1/20 0.41
HTR2A P28223 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
FFAR1 O14842 1/20 0.39
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL216358 0.88
SCHEMBL3030818 0.87 HTR2A (0.47) MAOAMAOBHTR2ASMN1; SMN2SLC6A3
SCHEMBL6294089 0.87 MAOA (0.48) MAOAMAOBHTR2ASIGMAR1
SCHEMBL18917615 0.85 SIGMAR1 (0.48) MAOAMAOBSIGMAR1
SCHEMBL3028982 0.85 SIGMAR1 (0.48) MAOAMAOBSIGMAR1
SCHEMBL11553069 0.85 SIGMAR1 (0.48) MAOAMAOBSIGMAR1
SCHEMBL4405621 0.84 ESR1 (0.54) ALDH1A1TDP1TAAR1SIGMAR1
SCHEMBL1862280 0.84 LOXL2 (0.42) TDP1SMN1; SMN2LOXL2
SCHEMBL9320456 0.84 KCNH2 (0.47) ALDH1A1ALOX15KCNH2TDP1CYP2A6
SCHEMBL8094403 0.79 KCNJ1 (0.46) MAOAMAOBHPGDHSD17B10KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3966384-B1 FRESHENING COMPOSITIONS WITH ALKOXYLATED PHENOLS PROCTER & GAMBLE (US) 2023-05-03 EP claimed
CN-106066578-B Coloring composition, coloring cured film, color filter, display element and solid-state imaging element JSR株式会社 2021-04-13 CN claimed
US-9233138-B2 Compositions for promoting HIV-1 virolysis and methods using same DREXEL UNIVERSITY (US) 2016-01-12 US claimed
EP-1478335-B1 PERFUME CONTAINING SURFACTANT COMPOSITIONS HAVING PERFUME BURST WHEN DILUTED AND PROCESS THEREOF UNILEVER PLC (GB) 2014-07-30 EP claimed
EP-2211829-B1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO KGAA (DE) 2011-04-27 EP claimed
CN-100494182-C Regulatory factor of tumor necrosis alpha factor GENZYME CORP (US) 2009-06-03 CN claimed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US claimed
US-20080176898-A1 Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate BAYER HEALTHCARE AG (DE) 2008-07-24 US claimed
EP-1290132-B1 FABRIC CARE COMPOSITIONS AND SYSTEMS FOR DELIVERING CLEAN, FRESH SCENT IN A LIPOPHILIC FLUID TREATMENT PROCESS PROCTER & GAMBLE (US) 2008-04-30 EP claimed
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP claimed
EP-1572628-A1 ISOPHTALIC ACID DERIVATIVES Bayer HealthCare AG (DE) 2005-09-14 EP claimed
WO-2004052839-A1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-06-24 WO claimed
CN-1441787-A Modulators of TNF-alpha signaling GENZYME CORP (US) 2003-09-10 CN claimed
EP-0787176-B1 FABRIC SOFTENER COMPOSITIONS WITH REDUCED ENVIRONMENTAL IMPACT PROCTER & GAMBLE (US) 2003-05-07 EP claimed
WO-2001087842-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
EP-0535548-B1 Inhibitor of atherosclerotic intimal thickening NISSAN CHEMICAL IND LTD (JP) 2001-11-21 EP claimed
EP-0404470-B1 Fragrance compositions and their use in detergent products QUEST INT (NL) 1994-04-13 EP claimed
EP-0219308-B1 2-SUBSTITUTED QUINOLINES MERCK FROSST CANADA INC. (CA) 1991-10-23 EP claimed
EP-0147191-B1 PERFUME AND COMPOSITIONS CONTAINING PERFUME UNILEVER N.V. (NL) 1989-10-04 EP claimed
US-3998802-A POLYAMIDES, CELLULOSE ESTERS, POLYESTERS, POLYACRYLONITRILES BASF AKTIENGESELLSCHAFT (DT) 1976-12-21 US claimed

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-20080176898-A1 Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate LTC4S, LTB4R2, LTB4R MAOA 659/4885MAOB 484/4885ALDH1A1 285/4885

“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.