SCHEMBL161189

SCHEMBL161189

CC(C)OC(=O)n1cccc1[O]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
P2RX4 Q99571 1/20 0.42
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA7 P43166 4/20 0.39
CA9 Q16790 4/20 0.39
CA14 Q9ULX7 4/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 2/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
AKR1B10 O60218 1/20 0.34
AKR1B1 P15121 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34

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
SCHEMBL15204521 0.83 MAPT (0.38) BCHEALDH1A1HPGDTSHRGAA
SCHEMBL163215 0.77 P2RX4 (0.48) P2RX4ALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL163149 0.76 LPO (0.47) BCHECA12CA1CA2CA7
SCHEMBL160192 0.71 ALDH1A1 (0.44) BCHEALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL12431357 0.71 MAPT (0.40) BCHEP2RX4CA12CA1CA2
SCHEMBL162353 0.70 BCHE (0.46) BCHEP2RX4ALDH1A1SMN1; SMN2TSHR
SCHEMBL4176419 0.70 NOTUM (0.59) BCHEP2RX4ALDH1A1SMN1; SMN2HPGD
SCHEMBL164228 0.69 BCHE (0.51) BCHEALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL162055 0.69 BCHE (0.38) BCHEP2RX4CA12CA1CA2
SCHEMBL161488 0.69

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 BCHE 37/4885P2RX4 2210/4885CA12 4471/4885

“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.