SCHEMBL162880

SCHEMBL162880

CC(C)COC(=O)n1ccc([O])n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MEN1 O00255 1/20 0.58
HPGD P15428 1/20 0.58
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
P2RX4 Q99571 1/20 0.43
TSHR P16473 4/20 0.41
ALDH1A1 P00352 3/20 0.41
JMJD6 Q6NYC1 1/20 0.39
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KIT P10721 1/20 0.33
POLB P06746 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
SCHEMBL161442 0.83 KMT2A (0.48) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL2659282 0.83 KMT2A (0.56) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL4648245 0.80 KMT2A (0.54) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL161714 0.79 KMT2A (0.52) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL162960 0.79 KMT2A (0.43) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL162414 0.78 P2RX4 (0.38) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL164431 0.76 KMT2A (0.52) KMT2AMEN1MAPTSMN1; SMN2TSHR
SCHEMBL165474 0.75 KMT2A (0.38) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL162586 0.71 CYP2C19 (0.41) KMT2AMEN1HPGDMAPTSMN1; SMN2
SCHEMBL20920373 0.70 KMT2A (0.53) KMT2AMEN1HPGDRAB9ANPC1

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 KMT2A 2544/4885MEN1 4776/4885HPGD 2718/4885

“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.