SCHEMBL162383

SCHEMBL162383

CCOC(=O)c1ccc2cc3ccccc3cc2c1[O]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
CDC25B P30305 3/20 0.50
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 3/20 0.49
GLA P06280 2/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CDC25A P30304 1/20 0.47
CDC25C P30307 1/20 0.47
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL164007 0.89 ALDH1A1 (0.55) TSHRCDC25BKDM4EALDH1A1LMNA
SCHEMBL163227 0.86 CDC25B (0.61) TSHRCDC25BKDM4EALDH1A1GLA
SCHEMBL163609 0.86 TSHR (0.57) TSHRKDM4EALDH1A1KMT2AMEN1
SCHEMBL3679659 0.85 TSHR (0.53) TSHRCDC25BKDM4EALDH1A1GLA
SCHEMBL164374 0.85 ALDH1A1 (0.56) TSHRCDC25BKDM4EALDH1A1GLA
SCHEMBL11338215 0.84 TSHR (0.63) TSHRCDC25BKDM4EALDH1A1GLA
SCHEMBL7022191 0.83 TSHR (0.62) TSHRCDC25BKDM4EALDH1A1GLA
SCHEMBL165293 0.83 ALDH1A1 (0.51) TSHRKDM4EALDH1A1GAAKMT2A
SCHEMBL162793 0.82 CDC25B (0.57) TSHRCDC25BKDM4EALDH1A1GLA
SCHEMBL161343 0.81 L3MBTL1 (0.41) CDC25BKDM4EALDH1A1GLAGAA

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 4862/4885CDC25B 4676/4885KDM4E 2214/4885

“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.