SCHEMBL162646

SCHEMBL162646

CC(C)COC(=O)c1cc([O])cnn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
JMJD6 Q6NYC1 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GPR35 Q9HC97 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
CACNA1F O60840 2/20 0.33
CACNA1D Q01668 2/20 0.33
CACNA1S Q13698 2/20 0.33
CACNA1C Q13936 2/20 0.33
MAPT P10636 3/20 0.33

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
SCHEMBL163979 0.82 CYP1A2 (0.47) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL160890 0.79 ALDH1A1 (0.42) TSHRALDH1A1JMJD6HPGDKDM4E
SCHEMBL160044 0.79 CA12 (0.41) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL165489 0.77 GABRA1 (0.44) ALDH1A1KMT2AHPGDKDM4EHSD17B10
SCHEMBL164195 0.77 ESR1 (0.45) TSHRALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL160894 0.76 MAPK1 (0.42) ALDH1A1HPGDKDM4EHSD17B10LMNA
SCHEMBL162570 0.75 ALDH1A1 (0.47) TSHRALDH1A1JMJD6KDM4EGPR35
SCHEMBL20188582 0.73 ALDH1A1 (0.53) TSHRALDH1A1MEN1KMT2AJMJD6
SCHEMBL30817753 0.73 ALDH1A1 (0.53) TSHRALDH1A1MEN1KMT2AJMJD6
SCHEMBL162729 0.72 GABRG2 (0.41) ALDH1A1HSD17B10MAPTTP53NPSR1

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 4862/4885ALDH1A1 1667/4885MEN1 4776/4885

“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.