SCHEMBL712948

SCHEMBL712948

BrCc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.78
ALDH1A1 P00352 1/20 0.78
TSHR P16473 1/20 0.78
CALM1 P0DP23 1/20 0.67
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
LTA4H P09960 4/20 0.50
IDH1 O75874 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PLA2G10 O15496 1/20 0.46
PLA2G2A P14555 1/20 0.46
LMNA P02545 1/20 0.46
SLC22A2 O15244 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41

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
Benzyl Bromide SCHEMBL5964841 0.88
Benzyl Bromide SCHEMBL5757393 0.88 TSHR (1.00) TRPA1ALDH1A1TSHRCALM1CES2
SCHEMBL20389321 0.88 TSHR (1.00) TRPA1ALDH1A1TSHRCALM1CES2
Benzyl Bromide SCHEMBL1331189 0.88
Benzyl Bromide SCHEMBL9000955 0.88 TSHR (1.00) TRPA1ALDH1A1TSHRCALM1CES2
Benzyl Bromide SCHEMBL1066 0.88
SCHEMBL5885289 0.88 ALDH1A1 (0.56) TRPA1ALDH1A1TSHRCALM1CES2
Benzyl Bromide SCHEMBL905931 0.85
Benzyl Bromide SCHEMBL4313280 0.85
Benzyl Bromide SCHEMBL128357 0.85

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9441065-B2 Curable composition for imprints, cured product and method for manufacturing a cured product FUJIFILM CORPORATION (JP) 2016-09-13 US disclosed
US-8999221-B2 Curable composition for imprints, patterning method and pattern FUJIFILM CORPORATION (JP) 2015-04-07 US disclosed
US-8883065-B2 Curable composition for imprints, patterning method and pattern FUJIFILM CORPORATION (JP) 2014-11-11 US disclosed
US-20140121292-A1 CURABLE COMPOSITION FOR IMPRINTS, PATTERNING METHOD AND PATTERN FUJIFILM CORPORATION (JP) 2014-05-01 US disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-20110236595-A1 CURABLE COMPOSITION FOR IMPRINTS, PATTERNING METHOD AND PATTERN FUJIFILM CORPORATION (JP) 2011-09-29 US disclosed
EP-2352768-A2 CURABLE COMPOSITION FOR IMPRINTS, PATTERNING METHOD AND PATTERN FUJIFILM Corporation (JP) 2011-08-10 EP disclosed
WO-2010064726-A2 CURABLE COMPOSITION FOR IMPRINTS, PATTERNING METHOD AND PATTERN FUJIFILM CORPORATION (JP) 2010-06-10 WO disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
EP-1940837-A2 IMIDAZOPYRIDINE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-07-09 EP disclosed
WO-1998028264-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1998-07-02 WO disclosed
WO-1998024756-A1 PHENYL ACETAMIDES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1998-06-11 WO disclosed
WO-1998008818-A1 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 1998-03-05 WO disclosed
WO-1998003516-A1 PHOSPHINATE BASED INHIBITORS OF MATRIX METALLOPROTEASES PFIZER INC. (US) 1998-01-29 WO disclosed
US-4880800-A PROSTAGLANDIN DERIVATIVES FOR ANTICOAGULANTS, VASODILATION, BRONCHODILATION GLAXO GROUP LIMITED (GB) 1989-11-14 US disclosed
EP-0032432-B1 PROSTANOID COMPOUNDS AND THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS GLAXO GROUP LIMITED (GB) 1985-07-24 EP disclosed
US-4438112-A PROSTAGLANDINS, ANTICOAGULANTS, ANTIASTHMA GLAXO GROUP LIMITED (GB) 1984-03-20 US disclosed
US-4342756-A AS ANTITHROMBOTIC AGENTS AND ANTIASTHMATIC AGENTS GLAXO GROUP LIMITED (GB) 1982-08-03 US disclosed
EP-0032432-A1 Prostanoid compounds and their preparation and pharmaceutical formulations GLAXO GROUP LIMITED (GB) 1981-07-22 EP disclosed
US-4153719-A Aromatic diketones STERLING DRUG INC. (US) 1979-05-08 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-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS GCK, GCKR, KHK TRPA1 3722/4885ALDH1A1 832/4885TSHR 2922/4885
US-20110236595-A1 CURABLE COMPOSITION FOR IMPRINTS, PATTERNING METHOD AND PATTERN DNMT3L, DNMT3A, DNMT1 TRPA1 4155/4885ALDH1A1 2439/4885TSHR 4211/4885

“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.