SCHEMBL162971

SCHEMBL162971

CCOC(=O)c1conc1[O]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA7 P43166 4/20 0.41
CA9 Q16790 4/20 0.41
CA14 Q9ULX7 4/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL162656 0.86 ALDH1A1 (0.51) TSHRALDH1A1HSD17B10MAPK1MAOB
SCHEMBL5410864 0.84 TSHR (0.50) TSHRALDH1A1KMT2AMEN1HSD17B10
SCHEMBL158899 0.83 TSHR (0.54) TSHRALDH1A1HSD17B10MAPK1KDM4E
SCHEMBL23991169 0.82 CA12 (0.49) TSHRALDH1A1KMT2AMEN1HSD17B10
SCHEMBL162506 0.81 ALDH1A1 (0.53) TSHRALDH1A1KMT2AMEN1HSD17B10
SCHEMBL5275787 0.81 TSHR (0.47) TSHRALDH1A1KMT2AMEN1HSD17B10
SCHEMBL164175 0.79 TSHR (0.38) TSHRALDH1A1HSD17B10GAACA12
SCHEMBL23989611 0.79 TSHR (0.46) TSHRALDH1A1KMT2AMEN1HSD17B10
SCHEMBL22439694 0.79 TSHR (0.46) TSHRALDH1A1KMT2AMEN1HSD17B10
SCHEMBL23991100 0.79 TSHR (0.46) TSHRALDH1A1KMT2AMEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 TSHR 4862/4885ALDH1A1 1667/4885KMT2A 2544/4885

“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.