SCHEMBL1308306

SCHEMBL1308306

OCCCCC(Br)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
HRH1 P35367 4/20 0.38
HTR2A P28223 3/20 0.38
SIGMAR1 Q99720 2/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CCR3 P51677 1/20 0.34
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL22042217 0.89 HRH1 (0.44) TRPA1CES2CES1HRH1HTR2A
SCHEMBL8037602 0.85 TRPA1 (0.48) TRPA1LMNAALDH1A1CES2CES1
SCHEMBL5410942 0.80 HRH1 (0.58) TRPA1LMNAALDH1A1HSD17B10HRH1
SCHEMBL22042211 0.79 HRH1 (0.46) TRPA1CES2CES1HRH1HTR2A
SCHEMBL6203441 0.79 HTR2A (0.42) TRPA1CES2CES1HRH1HTR2A
SCHEMBL4459353 0.79 SIGMAR1 (0.44) LMNAALDH1A1HTR2ASIGMAR1KDM4E
SCHEMBL8141988 0.79 BRD4 (0.35) LMNASLC6A2SLC6A4SLC6A3L3MBTL1
SCHEMBL1308572 0.78 RIPK1 (0.53) TRPA1LMNAALDH1A1HSD17B10KDM4E
SCHEMBL9579891 0.78 RIPK1 (0.53) TRPA1LMNAALDH1A1HSD17B10KDM4E
SCHEMBL5412370 0.78 HRH1 (0.56) TRPA1HRH1HTR2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2244575-B1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-07-17 EP disclosed
US-8053455-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-11-08 US disclosed
US-20110201621-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-08-18 US disclosed
US-7947664-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-05-24 US disclosed
US-20100292192-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-11-18 US disclosed
EP-2244575-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-11-03 EP disclosed
WO-2009094242-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-07-30 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 (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-20110201621-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN TRPA1 1996/4885LMNA 2956/4885ALDH1A1 4024/4885
US-20100292192-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN TRPA1 1889/4885LMNA 3016/4885ALDH1A1 4026/4885

“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.