SCHEMBL158357

SCHEMBL158357

CCCCOC(=O)c1coc([O])n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ESR1 P03372 7/20 0.44
LMNA P02545 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2D6 P10635 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 2/20 0.43
PDE4D Q08499 1/20 0.43
TP53 P04637 1/20 0.41
STS P08842 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL163138 0.90 ALDH1A1 (0.43) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL20267535 0.84 TSHR (0.46) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL160214 0.83 CYP1A2 (0.53) TSHRL3MBTL1CYP1A2CYP2C19MAPK1
SCHEMBL163722 0.75 TSHR (0.46) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL161081 0.74 DAGLA (0.43) CYP1A2CYP2C19MAPK1SMN1; SMN2CYP3A4
SCHEMBL20267830 0.74 ALDH1A1 (0.43) TSHRTDP1ESR1LMNACYP1A2
SCHEMBL3885590 0.73 CYP1A2 (0.68) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL162143 0.73 TSHR (0.51) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL31277364 0.72 ESR1 (0.56) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL161564 0.72 CA12 (0.52) TSHRL3MBTL1TDP1ESR1LMNA

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 TSHR 4862/4885L3MBTL1 1654/4885TDP1 56/4885

“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.