SCHEMBL163150

SCHEMBL163150

CCOC(=O)c1cc[nH]c1[O]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
TSHR P16473 1/20 0.55
NUDT1 P36639 1/20 0.53
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.47
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CLEC4M Q9H2X3 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL160193 0.86 ALDH1A1 (0.58) KMT2ATSHRNUDT1ALDH1A1KDM4E
SCHEMBL1156163 0.83 KMT2A (0.58) KMT2ATSHRNUDT1ALDH1A1KDM4E
SCHEMBL164229 0.83 TSHR (0.60) KMT2ATSHRALDH1A1KDM4EHPGD
SCHEMBL2069470 0.81 KMT2A (0.56) KMT2ATSHRNUDT1ALDH1A1KDM4E
SCHEMBL3267220 0.81 KMT2A (0.56) KMT2ATSHRNUDT1ALDH1A1KDM4E
SCHEMBL163216 0.81 ALDH1A1 (0.59) KMT2ATSHRNUDT1ALDH1A1KDM4E
SCHEMBL13272035 0.80 KMT2A (0.55) KMT2ATSHRNUDT1ALDH1A1KDM4E
SCHEMBL30717961 0.80 KMT2A (0.55) KMT2ATSHRNUDT1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL27223443 0.80 KMT2A (0.55) KMT2ATSHRNUDT1ALDH1A1KDM4E
SCHEMBL8268881 0.80 KMT2A (0.68) KMT2ATSHRNUDT1ALDH1A1KDM4E

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 KMT2A 2544/4885TSHR 4862/4885NUDT1 625/4885

“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.