SCHEMBL12733121

SCHEMBL12733121

CC(c1ccccc1)C1COC(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
GRM4 Q14833 1/20 0.35
DAO P14920 1/20 0.35
ALOX5 P09917 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
PKM P14618 1/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
EGFR P00533 1/20 0.32
APOBEC3A P31941 1/20 0.32
KMT2A Q03164 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL5168082 0.86 DAO (0.37) DAOALOX5TAAR1EGFR
SCHEMBL5182311 0.86 DAO (0.37) DAOALOX5TAAR1EGFR
SCHEMBL5168090 0.86 DAO (0.37) DAOALOX5TAAR1EGFR
SCHEMBL8882439 0.80 EPHX1 (0.39)
SCHEMBL11549245 0.80 EPHX1 (0.39)
SCHEMBL8882442 0.80 EPHX1 (0.39)
SCHEMBL18858721 0.80 TAAR1 (0.36) ALDH1A1TAAR1HPGDEGFR
SCHEMBL22619455 0.80 TAAR1 (0.36) ALDH1A1TAAR1HPGDEGFR
SCHEMBL8882036 0.76 ALDH1A1 (0.33) ALDH1A1PKMHPGDKMT2A
SCHEMBL57409 0.74

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 US disclosed
EP-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 EP disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 US disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 US disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 US disclosed
WO-2011029920-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2011-03-17 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 (2 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-20110092501-A1 NOVEL INHIBITORS GLUL, QPCT, GLS ALDH1A1 2195/4885MCOLN3 4260/4885GRM4 1528/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS ALDH1A1 2195/4885MCOLN3 4260/4885GRM4 1528/4885

“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.