SCHEMBL3786209

SCHEMBL3786209

Nc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.86
ALDH1A1 P00352 5/20 0.67
TDP1 Q9NUW8 4/20 0.67
CYP3A4 P08684 3/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
TSHR P16473 2/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
NLRP3 Q96P20 1/20 0.67
MAPT P10636 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MITF O75030 1/20 0.64
GAA P10253 1/20 0.64
GFER P55789 1/20 0.64
NLRP1 Q9C000 1/20 0.64
NOD2 Q9HC29 1/20 0.64
TAAR1 Q96RJ0 1/20 0.64
HSD17B10 Q99714 1/20 0.64
LTA4H P09960 1/20 0.57

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
Benzidine SCHEMBL29023708 1.00 MAOA (0.86) MAOAALDH1A1TDP1CYP3A4MEN1
SCHEMBL4980978 0.95 MAOA (0.77) MAOAALDH1A1TDP1CYP3A4MEN1
Biphenyl-4-Amine SCHEMBL28258675 0.95 MAOA (0.77) MAOAALDH1A1TDP1CYP3A4MEN1
Biphenyl SCHEMBL20395915 0.95 MAOA (0.77) MAOAALDH1A1TDP1CYP3A4MEN1
SCHEMBL553858 0.95 MAOA (0.77) MAOAALDH1A1TDP1CYP3A4MEN1
Diphenylether SCHEMBL28089995 0.93 MAOA (1.00) MAOAALDH1A1TDP1CYP3A4MEN1
SCHEMBL554324 0.93 MAOA (1.00) MAOAALDH1A1TDP1CYP3A4MEN1
4-Phenoxyaniline SCHEMBL159084 0.93 MAOA (1.00) MAOAALDH1A1TDP1CYP3A4MEN1
4-Phenoxyaniline SCHEMBL2830851 0.90 MAOA (0.95) MAOAALDH1A1TDP1CYP3A4MEN1
SCHEMBL3482671 0.90 ALDH1A1 (0.82) MAOAALDH1A1TDP1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-0789577-B1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 2003-03-12 EP disclosed
EP-0671928-B1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 2002-11-27 EP disclosed
EP-1258492-A1 N-substituted oligomers and methods for their synthesis, e.g. polyglycine bearing nucleic acid bases CHIRON CORPORATION (US) 2002-11-20 EP disclosed
US-5977301-A AUTOMATED AND EFFICIENT SYNTHESIS BY REACTING SOLID SUPPORT BOUND AMINE WITH AN ACYLATING SUBMONOMER TO PRODUCE A SOLID SUPPORT-BOUND AMIDE WHICH CAN BE FURTHER REACTED; ONLY REACTIVE SIDE CHAINS NEED PROTECTED CHIRON CORPORATION (US) 1999-11-02 US disclosed
US-5877278-A SOLID PHASE SYNTHESIS USING TWO SUBMONOMERS-AN ACYLATING AGENT, E.G. A HALOACETIC ACID, AND A PRIMARY AMINE; CYCLIZATION TO PRODUCE MIMETICS OF DRUGS; ELIMINATION OF THE NECESSITY OF PROTECTION GROUPS CHIRON CORPORATION (US) 1999-03-02 US disclosed
US-5831005-A ACYLATION, NUCLEOPHILIC DISPLACEMENT CYCLES CHIRON CORPORATION (US) 1998-11-03 US disclosed
EP-0789577-A4 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 1998-07-22 EP disclosed
EP-0789577-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1997-08-20 EP disclosed
WO-1996040202-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1996-12-19 WO disclosed
US-5480871-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA CHIRON CORPORATION (US) 1996-01-02 US disclosed
US-5447916-A Hypotensive agents CHIRON CORPORATION (US) 1995-09-05 US disclosed
WO-1995004072-A1 PEPTOID ALPHA-1 ADRENERGIC RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-02-09 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MAOA 348/4885ALDH1A1 4339/4885TDP1 4196/4885

“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.