SCHEMBL164228

SCHEMBL164228

CCCCOC(=O)n1cccc1[O]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.51
TSHR P16473 6/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 3/20 0.42
CYP3A4 P08684 3/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 5/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ESR1 P03372 1/20 0.41
CYP2D6 P10635 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
CYP2C9 P11712 1/20 0.41

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 0.90 ALDH1A1 (0.44) BCHETSHRL3MBTL1TDP1MAPK1
SCHEMBL163149 0.84 LPO (0.47) BCHETSHRL3MBTL1KMT2AMEN1
SCHEMBL7579682 0.83 BCHE (0.48) BCHETSHRL3MBTL1TDP1MAPK1
SCHEMBL4706496 0.81 BCHE (0.49) BCHETSHRL3MBTL1TDP1MAPK1
SCHEMBL27654428 0.76 BCHE (0.43) BCHETSHRL3MBTL1TDP1MAPK1
SCHEMBL5635573 0.74 NOTUM (0.53) BCHETSHRL3MBTL1TDP1MAPK1
SCHEMBL14977311 0.74 LMNA (0.53) BCHETSHRL3MBTL1TDP1MAPK1
SCHEMBL14975141 0.74 LMNA (0.53) BCHETSHRL3MBTL1TDP1MAPK1
SCHEMBL16058203 0.74 LMNA (0.53) BCHETSHRL3MBTL1TDP1MAPK1
SCHEMBL16057185 0.74 LMNA (0.53) BCHETSHRL3MBTL1TDP1MAPK1

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 37/4885TSHR 4862/4885L3MBTL1 1654/4885

“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.