SCHEMBL983266

SCHEMBL983266

CCOc1ccc2c(c1B1OC(C)(C)C(C)(C)O1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.50
▸ KMT2A Q03164 6/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 5/20 0.34
▸ POLB P06746 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ DHFR P00374 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ IGF1R P08069 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
SCHEMBL983074 0.90 AOC3 (0.40) AOC3ALDH1A1MAPTRAB9AHPGD
SCHEMBL981864 0.88 AOC3 (0.39) AOC3KMT2AALDH1A1MEN1MAPT
SCHEMBL985938 0.86 AOC3 (0.36) AOC3HPGD
SCHEMBL983391 0.85 AOC3 (0.36) AOC3
SCHEMBL985514 0.84 AOC3 (0.35) AOC3HPGDDRD2
SCHEMBL17397884 0.73 GSK3B (0.36) AOC3KMT2AALDH1A1MAPTHSD17B10
SCHEMBL27842752 0.72 AOC3 (0.58) AOC3KMT2AALDH1A1MEN1POLB
SCHEMBL3445997 0.71 ALDH1A1 (0.39) KMT2AALDH1A1MEN1MAPTRAB9A
SCHEMBL2211702 0.70 AOC3 (0.59) AOC3KMT2AALDH1A1MEN1POLB
SCHEMBL21823725 0.69 LARS1 (0.40) MAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 — — US disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 — — US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 — — EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 — — 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A AOC3 501/4885KMT2A 2975/4885ALDH1A1 924/4885

“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.

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