SCHEMBL5346384

SCHEMBL5346384

Cc1cc(C)cc(Oc2ccccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.44
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PTGS2 P35354 2/20 0.42
DRD1 P21728 2/20 0.42
LTA4H P09960 1/20 0.42
GPR39 O43194 1/20 0.41
FFAR4 Q5NUL3 3/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM5 P41594 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL22061563 0.86 KDM4E (0.48) ALDH1A1SMN1; SMN2TLR4TLR2KDM4E
SCHEMBL8559018 0.85 LMNA (0.50) ALDH1A1SMN1; SMN2TLR4TLR2MAPK1
SCHEMBL171707 0.82 MEN1 (0.55) DHODHALDH1A1MAPK1KDM4EPTGS2
SCHEMBL11143982 0.79 PTGS2 (0.57) SMN1; SMN2TLR4TLR2MAPK1KDM4E
SCHEMBL22009620 0.79 KDM4E (0.45) DHODHTLR4TLR2MAPK1KDM4E
SCHEMBL18181773 0.78 DRD1 (0.52) ALDH1A1SMN1; SMN2TLR4TLR2MAPK1
SCHEMBL12129555 0.78 TLR4 (0.56) ALDH1A1SMN1; SMN2TLR4TLR2KDM4E
SCHEMBL29612417 0.78 TLR4 (0.56) ALDH1A1SMN1; SMN2TLR4TLR2KDM4E
Methyl Alcohol SCHEMBL11157137 0.78 GPR39 (0.51) DHODHALDH1A1SMN1; SMN2TLR4TLR2
SCHEMBL147539 0.77 LOXL2 (0.52) ALDH1A1SMN1; SMN2TLR4TLR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085275-B O-nitrophenol and its derivative synthesis method 浙江工业大学 2017-04-12 CN disclosed
CN-104262159-B A kind of synthetic method of ortho-nitrophenyl phenolic compound 浙江工业大学 2016-08-10 CN disclosed
CN-105085275-A O-nitrophenol and its derivative synthesis method UNIV ZHEJIANG TECHNOLOGY 2015-11-25 CN disclosed
CN-104262159-A Synthesis method of o-nitrophenol compounds UNIV ZHEJIANG TECHNOLOGY 2015-01-07 CN disclosed
US-7202367-B2 Process for arylating or vinylating or alkynating a nucleophilic compound RHODIA CHIMIE (FR) 2007-04-10 US disclosed
US-7202367-B2 Process for arylating or vinylating or alkynating a nucleophilic compound RHODIA CHIMIE (FR) 2007-04-10 US disclosed
US-20050234239-A1 Method of forming a carbon-carbon or carbon-heteroatom linkage SHASUN PHARMA SOLUTIONS, INC. 2005-10-20 US disclosed
US-20030236413-A1 Catalysis in presence of a metallic element, an imine ligand and nitrogen compound as chelating compound, forming a chemical intermediates in the agrochemical and pharmaceutical fields SHASUN PHARMA SOLUTIONS, INC. 2003-12-25 US 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-20050234239-A1 Method of forming a carbon-carbon or carbon-heteroatom linkage AOC1, AOC3, NUDT1 DHODH 88/4885ALDH1A1 436/4885SMN1; SMN2 3694/4885
US-20030236413-A1 Catalysis in presence of a metallic element, an imine ligand and nitrogen compound as chelating compound, forming a chemical intermediates in the agrochemical and pharmaceutical fields ALK, INMT, ACHE DHODH 982/4885ALDH1A1 559/4885SMN1; SMN2 661/4885

“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.