SCHEMBL160193

SCHEMBL160193

CCCOC(=O)c1cc[nH]c1[O]

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 2/20 0.48
LMNA P02545 2/20 0.47
TSHR P16473 5/20 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
KMT2A Q03164 1/20 0.43
MAOB P27338 1/20 0.41
NUDT1 P36639 1/20 0.40

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
SCHEMBL164229 0.90 TSHR (0.60) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL163150 0.86 KMT2A (0.56) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL9863516 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL163216 0.78 ALDH1A1 (0.59) ALDH1A1KDM4ETSHRTDP1TP53
SCHEMBL162289 0.76 NR4A2 (0.44) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL112063 0.74 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL9504146 0.74 ALDH1A1 (0.70) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL19066309 0.74 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL829756 0.73 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL17022080 0.72 ALDH1A1 (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 2214/4885HSD17B10 3364/4885

“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.