SCHEMBL164632

SCHEMBL164632

CCCOC(=O)c1ccoc1[O]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
KMT2A Q03164 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
MAOB P27338 1/20 0.48
LMNA P02545 2/20 0.47
TSHR P16473 6/20 0.46
TDP1 Q9NUW8 2/20 0.46
ESR1 P03372 1/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A2 P23975 1/20 0.46
KDR P35968 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL166320 0.90 TSHR (0.60) ALDH1A1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL158238 0.86 TSHR (0.55) ALDH1A1KMT2AHPGDMEN1GAA
SCHEMBL28381382 0.83 ALDH1A1 (0.58) ALDH1A1KMT2ARAB9ASMN1; SMN2HPGD
SCHEMBL9179871 0.82 ALDH1A1 (0.53) ALDH1A1KMT2ARAB9ASMN1; SMN2HPGD
SCHEMBL28660741 0.80 ALDH1A1 (0.54) ALDH1A1KMT2ARAB9ASMN1; SMN2HPGD
SCHEMBL28295222 0.79 ALDH1A1 (0.53) ALDH1A1KMT2ARAB9ASMN1; SMN2HPGD
SCHEMBL28654888 0.79 ALDH1A1 (0.53) ALDH1A1KMT2ARAB9ASMN1; SMN2HPGD
SCHEMBL165370 0.78 ALDH1A1 (0.59) ALDH1A1KMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL2096107 0.78 ALDH1A1 (0.51) ALDH1A1KMT2ARAB9ASMN1; SMN2HPGD
SCHEMBL28295220 0.78 TSHR (0.57) ALDH1A1KMT2ARAB9ASMN1; SMN2HPGD

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 1667/4885KMT2A 2544/4885RAB9A 3460/4885

“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.