SCHEMBL5863155

SCHEMBL5863155

CCOC(=O)c1ccc(-c2ccc(C)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.66
CA9 Q16790 3/20 0.66
CA12 O43570 2/20 0.66
CA1 P00915 2/20 0.66
CA7 P43166 2/20 0.66
CA14 Q9ULX7 2/20 0.66
ESR1 P03372 1/20 0.66
ESR2 Q92731 1/20 0.66
CYP1A2 P05177 2/20 0.63
LMNA P02545 1/20 0.63
CYP3A4 P08684 1/20 0.63
MAOA P21397 1/20 0.63
KMT2A Q03164 2/20 0.63
GAA P10253 1/20 0.63
MEN1 O00255 1/20 0.57
HPGD P15428 5/20 0.56
HTT P42858 2/20 0.56
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
MAPT P10636 3/20 0.55

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
SCHEMBL16351851 1.00 CA2 (0.66) CA2CA9CA12CA1CA7
SCHEMBL235800 0.94 CA2 (0.73) CA2CA9CA12CA1CA7
SCHEMBL16351874 0.94 CA1 (0.73) CA2CA9CA12CA1CA7
SCHEMBL1965326 0.94 CA1 (0.73) CA2CA9CA12CA1CA7
Hydrochloric Acid SCHEMBL28242785 0.92 CA2 (0.70) CA2CA9CA12CA1CA7
SCHEMBL12544707 0.91 CA12 (0.56) CA2CA9CA12CA1CA7
SCHEMBL16351882 0.91 CA12 (0.56) CA2CA9CA12CA1CA7
SCHEMBL9581449 0.91 CA12 (0.56) CA2CA9CA12CA1CA7
SCHEMBL16351864 0.88 CA12 (0.57) CA2CA9CA12CA1CA7
SCHEMBL5556244 0.88 CA12 (0.66) CA2CA9CA12CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567526-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2017-02-14 US disclosed
US-9453103-B2 Method for producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-27 US disclosed
US-9238665-B2 Method for producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-01-19 US disclosed
US-20150322199-A1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-12 US disclosed
US-20150322101-A1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-12 US disclosed
US-20140375943-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2014-12-25 US disclosed
US-7195719-B1 High polarization ferroelectric liquid crystal compositions DISPLAYTECH, INC. (US) 2007-03-27 US disclosed
US-7132456-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2006-11-07 US disclosed
US-20060052449-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2006-03-09 US disclosed
EP-1572637-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-14 EP disclosed
WO-2004052848-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed
US-5922898-A Process for preparing biaryl compounds CATALYTICA PHARMACEUTICALS, INC. (US) 1999-07-13 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 (3 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-20150322199-A1 METHOD FOR PRODUCING AROMATIC COMPOUND PAH, DDC, DDT CA2 1064/4885CA9 330/4885CA12 889/4885
US-20150322101-A1 METHOD FOR PRODUCING AROMATIC COMPOUND PAH, DDC, PHOSPHO1 CA2 1031/4885CA9 387/4885CA12 780/4885
US-20060052449-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R CA2 2525/4885CA9 4131/4885CA12 4483/4885

“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.