SCHEMBL162793

SCHEMBL162793

CCOC(=O)c1ccc2c(ccc3ccccc32)c1[O]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.57
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 4/20 0.55
GLA P06280 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CDC25A P30304 1/20 0.53
CDC25C P30307 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.48
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 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
SCHEMBL163227 0.92 CDC25B (0.61) CDC25BKDM4EALDH1A1GLAGAA
SCHEMBL161248 0.89 ALDH1A1 (0.55) CDC25BKDM4EALDH1A1GLAGAA
SCHEMBL161846 0.86 TSHR (0.57) CDC25BKDM4EALDH1A1GLAGAA
SCHEMBL3680359 0.85 CDC25B (0.57) CDC25BKDM4EALDH1A1GLAGAA
SCHEMBL28669664 0.85 CDC25B (0.68) CDC25BKDM4EALDH1A1GLAGAA
SCHEMBL160612 0.85 ALDH1A1 (0.56) CDC25BKDM4EALDH1A1GLAGAA
SCHEMBL15110064 0.84 KMT2A (0.67) CDC25BKDM4EALDH1A1GLAGAA
SCHEMBL164215 0.83 MAPT (0.49) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL162383 0.82 TSHR (0.53) CDC25BKDM4EALDH1A1GLAGAA
SCHEMBL22610038 0.81 CDC25B (0.63) 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 CDC25B 4676/4885KDM4E 2214/4885ALDH1A1 1667/4885

“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.