SCHEMBL3768643

SCHEMBL3768643

COc1cccc(COCc2cccc(OC)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.71
AGXT P21549 2/20 0.71
MAOB P27338 7/20 0.61
TAAR1 Q96RJ0 3/20 0.60
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
CHRM3 P20309 1/20 0.56
CMA1 P23946 1/20 0.55
ABCB1 P08183 1/20 0.54
HTR1A P08908 1/20 0.54
DRD2 P14416 1/20 0.54
SIGMAR1 Q99720 1/20 0.53
AOC3 Q16853 1/20 0.53

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
SCHEMBL12093572 0.90 IDO1 (0.65) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL6205292 0.88 IDO1 (0.62) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL28382952 0.88 IDO1 (0.68) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL6205291 0.88 IDO1 (0.62) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL11021612 0.88 IDO1 (0.62) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL3156159 0.88 IDO1 (0.62) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL31264 0.87 IDO1 (0.71) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL19049283 0.87 IDO1 (0.61) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL2091873 0.87 IDO1 (0.61) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL18997045 0.85 IDO1 (0.59) IDO1AGXTMAOBTAAR1CHRM2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115368218-A Method for preparing 4-diaryl methyl substituted phenol compound 湖南理工学院 2022-11-22 CN disclosed
CN-114605299-A Electrophilic trifluoromethyl selenium-based reagent, preparation method and application thereof 浙江师范大学 2022-06-10 CN disclosed
CN-110475478-A The method of the process economics of ingredient and its production and purposes in cutting/classification separating plant starting material DIETZ MAX 2019-11-19 CN disclosed
US-8389544-B2 Isoquinolone compounds as subtype-selective agonists for melatonin receptors MT1 and MT2 THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2013-03-05 US disclosed
US-20100317691-A1 ISOQUINOLONE COMPOUNDS AS SUBTYPE-SELECTIVE AGONISTS FOR MELATONIN RECEPTORS MT1 AND MT2 THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2010-12-16 US disclosed
WO-2008092292-A1 ISOQUINOLONE COMPOUNDS AS SUBTYPE-SELECTIVE AGONISTS FOR MELATONIN RECEPTORS MT1 AND MT2 THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2008-08-07 WO disclosed
EP-1004621-B1 GAMMA-RAY STABILIZER AND THERMOPLASTIC POLYMER COMPOSITION CONTAINING THE SAME TEIJIN CHEMICALS LTD (JP) 2004-09-15 EP disclosed
US-6485657-B1 Gamma-ray stabilizer and thermoplastic polymer compound including the said stabilizer TEIJIN, LIMITED (JP) 2002-11-26 US disclosed
US-6172117-B1 APPLYING THIOCYANATOALKYL QUATERNARY AMMONIUM SALTS TO WOOD AKZO NOBEL N.V. (NL) 2001-01-09 US disclosed
EP-1004621-A1 GAMMA-RAY STABILIZER AND THERMOPLASTIC POLYMER COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 2000-05-31 EP disclosed
WO-1999043212-A2 WOOD PRESERVATIVES AKZO NOBEL N.V. (NL) 1999-09-02 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 (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-20100317691-A1 ISOQUINOLONE COMPOUNDS AS SUBTYPE-SELECTIVE AGONISTS FOR MELATONIN RECEPTORS MT1 AND MT2 MTNR1A, MTNR1B, MC2R IDO1 340/4885AGXT 3547/4885MAOB 1854/4885

“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.