SCHEMBL162583

SCHEMBL162583

CC(C)COC(=O)c1cc([O])sn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TSHR P16473 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
JMJD6 Q6NYC1 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
GPR35 Q9HC97 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 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
SCHEMBL159255 0.81 CYP1A2 (0.49) ALDH1A1TSHRSMN1; SMN2HSD17B10MAPT
SCHEMBL161579 0.79 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2HSD17B10LMNA
SCHEMBL160280 0.78 CA12 (0.42) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL164560 0.77 GABRA1 (0.43) ALDH1A1TSHRSMN1; SMN2HSD17B10LMNA
SCHEMBL162298 0.76 ESR1 (0.46) ALDH1A1TSHRSMN1; SMN2HSD17B10LMNA
SCHEMBL15205035 0.72 TSHR (0.50) ALDH1A1TSHRSMN1; SMN2HSD17B10JMJD6
SCHEMBL160439 0.71 NPC1 (0.43) ALDH1A1TSHRSMN1; SMN2MAPTKDM4E
SCHEMBL162313 0.71 RAB9A (0.48) ALDH1A1TSHRSMN1; SMN2HSD17B10LMNA
SCHEMBL163888 0.71 TSHR (0.45) ALDH1A1TSHRSMN1; SMN2JMJD6MAPT
SCHEMBL161842 0.71 RAB9A (0.45) ALDH1A1TSHRSMN1; SMN2MAPTMEN1

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 1667/4885TSHR 4862/4885SMN1; SMN2 1/4885

“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.