SCHEMBL346991

SCHEMBL346991

COC(=O)CCC1=C[N+]=CC=C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
EGFR P00533 2/20 0.35
SRC P12931 1/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RPS6KB2 Q9UBS0 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KAT2B Q92831 1/20 0.32
MEN1 O00255 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL1055501 0.66 TSHR (0.41) TSHRALDH1A1HSD17B10KMT2ALMNA
SCHEMBL13084165 0.65 TSHR (0.36) TSHRALDH1A1HSD17B10KMT2ALMNA
SCHEMBL25680385 0.64 TSHR (0.40) TSHRALDH1A1HSD17B10KMT2ALMNA
SCHEMBL22922181 0.64 CYP4F2 (0.59) TSHRALDH1A1HSD17B10KMT2ALMNA
SCHEMBL20730062 0.61 TSHR (0.38) TSHRALDH1A1HSD17B10KMT2ALMNA
SCHEMBL10438855 0.61 CYP4F2 (0.58) TSHRALDH1A1HSD17B10KMT2ALMNA
SCHEMBL197699 0.61 CYP11B1 (0.58) ALDH1A1KMT2AHTTPOLBKDM4E
Dimethyl Succinate SCHEMBL10213 0.61 TSHR (1.00) TSHRALDH1A1HSD17B10KMT2ALMNA
Dimethyl Succinate SCHEMBL28054469 0.61 TSHR (1.00) TSHRALDH1A1HSD17B10KMT2ALMNA
SCHEMBL12808519 0.60 NPSR1 (0.61) TSHRALDH1A1HSD17B10KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719768-B1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2012-04-25 EP disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 US disclosed
EP-1535913-B1 NOVEL QUATERNARY AMMONIUM COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2011-11-02 EP disclosed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 US disclosed
US-7803792-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2010-09-28 US disclosed
US-7312208-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-12-25 US disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
EP-1719768-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2006-11-08 EP disclosed
EP-1535913-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2005-06-01 EP 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-20070203115-A1 Novel quaternary ammonium compounds SLC10A2, SLC10A1, ABCB11 TSHR 3847/4885ALDH1A1 2165/4885HSD17B10 412/4885
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 TSHR 3208/4885ALDH1A1 1261/4885HSD17B10 478/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 TSHR 2972/4885ALDH1A1 680/4885HSD17B10 516/4885

“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.