SCHEMBL8784173

SCHEMBL8784173

BrC(COCC(Br)c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TRPA1 O75762 1/20 0.39
HRH1 P35367 1/20 0.39
SCN4A P35499 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
TACR1 P25103 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL780668 0.81 HTR2A (0.41) HTR2ACES2CES1TRPA1HRH1
SCHEMBL9224142 0.79 HTR2A (0.35) HTR2ACES2CES1TRPA1HRH1
Dimethylamine SCHEMBL6838255 0.79 MAPT (0.38) HTR2AHRH1TAAR1TACR1TDP1
SCHEMBL7129055 0.76 HTR2A (0.50) HTR2AHRH1SCN4ATAAR1TACR1
SCHEMBL22042211 0.76 HRH1 (0.46) HTR2ACES2CES1TRPA1HRH1
SCHEMBL19317396 0.76 CES2 (0.44) HTR2ACES2CES1TRPA1HRH1
SCHEMBL4892666 0.74 CES2 (0.42) HTR2ACES2CES1TRPA1HRH1
SCHEMBL331173 0.74 TRPA1 (0.42) HTR2ACES2CES1TRPA1HRH1
SCHEMBL2302000 0.73 ALDH1A1 (0.48) CES2CES1CYP1A2CYP2D6PKM
SCHEMBL11600373 0.73 ALDH1A1 (0.48) CES2CES1CYP1A2CYP2D6PKM

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-9856229-B2 Method for producing cyclic carbonate NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2018-01-02 US disclosed
US-20160145234-A1 METHOD FOR PRODUCING CYCLIC CARBONATE NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2016-05-26 US disclosed
EP-3023418-A1 METHOD FOR MANUFACTURING CYCLIC CARBONATE National Institute of Advanced Industrial Science and Technology (JP) 2016-05-25 EP disclosed
EP-0481676-B1 Hydroxyquinolone derivatives MERCK SHARP & DOHME (GB) 1997-01-29 EP disclosed
US-5559125-A NMDA AND AMPA RECEPTOR ANTAGONISTS, SCHIZOPHRENIA MERCK, SHARP & DOHME LIMITED (GB) 1996-09-24 US disclosed
EP-0522069-B1 METHOD TO IMPART COFFEE STAIN RESISTANCE TO POLYAMIDE TEXTILE SUBSTRATES ALLIED SIGNAL INC (US) 1995-05-24 EP disclosed
US-5364541-A Method to impart coffee stain resistance to polyamide textile substrates ALLIEDSIGNAL INC. 1994-11-15 US disclosed
US-5359010-A Phenoxy- or naphthyloxy-acrylic acid ester-maleic acid copolymers as antisoilants for nylon carpets or upholstery ALLIEDSIGNAL INC. (US) 1994-10-25 US disclosed
US-5348962-A Nervous system disorders; schizophrenia MERCK SHARPE & DOHME LTD. 1994-09-20 US disclosed
EP-0522069-A1 METHOD TO IMPART COFFEE STAIN RESISTANCE TO POLYAMIDE TEXTILE SUBSTRATES. ALLIED SIGNAL INC (US) 1993-01-13 EP disclosed
US-5135774-A Using polymer protective coatings ALLIED-SIGNAL INC. (US) 1992-08-04 US disclosed
US-5118551-A Method to impart stain resistance to polyamide textile substrates ALLIED-SIGNAL INC. (US) 1992-06-02 US disclosed
EP-0481676-A1 Hydroxyquinolone derivatives MERCK SHARP & DOHME LTD. (GB) 1992-04-22 EP disclosed
WO-1991014818-A1 METHOD TO IMPART COFFEE STAIN RESISTANCE TO POLYAMIDE TEXTILE SUBSTRATES ALLIED-SIGNAL INC. (US) 1991-10-03 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-20160145234-A1 METHOD FOR PRODUCING CYCLIC CARBONATE CA7, CA2, CA4 HTR2A 4647/4885CES2 80/4885CES1 232/4885

“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.