SCHEMBL161345

SCHEMBL161345

CCC(C)OC(=O)c1cc([O])co1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
ADORA2B P29275 2/20 0.36
GABRA1 P14867 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35
GABRA2 P47869 3/20 0.35
GABRA6 Q16445 1/20 0.35
PRKCA P17252 1/20 0.34
PRKCD Q05655 1/20 0.34
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32

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
SCHEMBL161855 0.83 CA12 (0.43) L3MBTL1GAAKDM4ELMNATP53
SCHEMBL161474 0.75 TSHR (0.46) L3MBTL1ADORA2BMAPTATMHTT
SCHEMBL28350049 0.74 L3MBTL1 (0.46) L3MBTL1ADORA2BGABRA1GABRG2GABRB3
SCHEMBL162015 0.73 MAPT (0.43) L3MBTL1MAPTGAAHTTKDM4E
SCHEMBL11078202 0.72 GAA (0.57) ADORA2BMAPTATMGAAHTT
SCHEMBL165879 0.71 ESR1 (0.47) L3MBTL1LMNATP53TSHR
SCHEMBL162865 0.71 CYP1A2 (0.44) GAALMNATP53KMT2AHPGD
SCHEMBL15204499 0.70 GABRA1 (0.40) L3MBTL1ADORA2BGABRA1GABRG2GABRB3
SCHEMBL162382 0.70 L3MBTL1 (0.38) L3MBTL1ADORA2BGABRA1GABRG2GABRB3
SCHEMBL162633 0.69 NPC1 (0.38) MAPTGAAKDM4ELMNATP53

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 L3MBTL1 1654/4885ADORA2B 375/4885GABRA1 3545/4885

“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.