SCHEMBL161248

SCHEMBL161248

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.47
MAOB P27338 2/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CDC25B P30305 2/20 0.45
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL163565 0.93 ALDH1A1 (0.60) ALDH1A1KDM4EMAOBHSD17B10LMNA
SCHEMBL161846 0.92 TSHR (0.57) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL162793 0.89 CDC25B (0.57) ALDH1A1KDM4EMAOBHSD17B10TSHR
SCHEMBL163617 0.84 TSHR (0.62) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL164007 0.83 ALDH1A1 (0.55) ALDH1A1KDM4EMAOBHSD17B10LMNA
SCHEMBL14473047 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EMAOBHSD17B10LMNA
SCHEMBL28400379 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EMAOBHSD17B10LMNA
SCHEMBL160612 0.82 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRTDP1CDC25B
SCHEMBL163227 0.81 CDC25B (0.61) ALDH1A1KDM4EMAOBHSD17B10TSHR
SCHEMBL164215 0.81 MAPT (0.49) ALDH1A1KDM4EHSD17B10LMNATSHR

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 ALDH1A1 1667/4885KDM4E 2214/4885MAOB 1218/4885

“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.