SCHEMBL161870

SCHEMBL161870

CC(C)(C)OC(=O)c1ccc2c(ccc3ccccc32)c1[O]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
HPRT1 P00492 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
WDR5 P61964 1/20 0.39
LDHA P00338 1/20 0.38
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36

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
SCHEMBL161514 0.92 MEN1 (0.45) MEN1KMT2AATMALDH1A1HPGD
SCHEMBL164215 0.83 MAPT (0.49) MEN1KMT2AHPRT1ALDH1A1HPGD
SCHEMBL163512 0.82 ALDH1A1 (0.41) MEN1KMT2AATMALDH1A1HPGD
SCHEMBL22610043 0.81 WDR5 (0.56) MEN1KMT2AATMALDH1A1HPGD
SCHEMBL31649200 0.81 ALDH1A1 (0.45) MEN1KMT2AATMHPRT1ALDH1A1
SCHEMBL2222226 0.80 LDHA (0.57) MEN1KMT2AATMMAPTLDHA
SCHEMBL7633074 0.80 MEN1 (0.42) MEN1KMT2AATMALDH1A1HPGD
SCHEMBL162793 0.79 CDC25B (0.57) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL164724 0.79 KDM4E (0.45) MEN1KMT2AHPRT1ALDH1A1HPGD
SCHEMBL28266327 0.79 CYP1A1 (0.48) MEN1KMT2AATMALDH1A1HPGD

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 MEN1 4776/4885KMT2A 2544/4885ATM 2894/4885

“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.