SCHEMBL163149

SCHEMBL163149

CCOC(=O)n1cccc1[O]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPO P22079 4/20 0.47
CYP1A2 P05177 2/20 0.47
LMNA P02545 1/20 0.47
BCHE P06276 1/20 0.45
TSHR P16473 2/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL160192 0.87 ALDH1A1 (0.44) LPOCYP1A2LMNABCHETSHR
SCHEMBL164228 0.84 BCHE (0.51) CYP1A2LMNABCHETSHRSMN1; SMN2
SCHEMBL13278237 0.82 LPO (0.49) LPOCYP1A2LMNABCHETSHR
SCHEMBL162288 0.80 LPO (0.44) LPOBCHETSHRCA12CA1
SCHEMBL23069579 0.78 TSHR (0.48) LPOCYP1A2LMNABCHETSHR
SCHEMBL26119733 0.78 LPO (0.45) LPOCYP1A2LMNABCHETSHR
SCHEMBL15614511 0.77 LPO (0.44) LPOCYP1A2LMNABCHETSHR
SCHEMBL8377839 0.77 ALDH1A1 (0.45) LPOCYP1A2LMNABCHETSHR
SCHEMBL161189 0.76 BCHE (0.46) BCHETSHRCA12CA1CA2
SCHEMBL28439670 0.76 BCHE (0.47) LPOCYP1A2LMNABCHETSHR

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 LPO 41/4885CYP1A2 4010/4885LMNA 462/4885

“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.