SCHEMBL1191065

SCHEMBL1191065

CC(=O)c1ccc2c(c1)OCC(C)(C)O2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 3/20 0.40
TSHR P16473 2/20 0.40
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
AKR1B1 P15121 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL30134256 0.94 KDM4E (0.55) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL9142407 0.83 KDM4E (0.63) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL7153475 0.78 KDM4E (0.50) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL17567325 0.78 KDM4E (0.50) KDM4ENPC1RAB9AMAPTAKR1B1
SCHEMBL31085210 0.76 KDM4E (0.54) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL4420510 0.76 AKR1B1 (0.43) KDM4ENPC1RAB9AMAPTRARA
SCHEMBL30134339 0.76 KDM4E (0.54) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL102971 0.75 KDM4E (0.89) KDM4ENPC1RAB9AKMT2AMEN1
3,4-Methylendioxy Acetophenone SCHEMBL29405437 0.75 KDM4E (0.71) KDM4ENPC1RAB9AKMT2AMEN1
3,4-Methylendioxy Acetophenone SCHEMBL137979 0.75 KDM4E (0.71) KDM4ENPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119119033-A Pyrazolopyridone compounds 百济神州有限公司 2024-12-13 CN disclosed
US-20240300951-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-09-12 US disclosed
US-20240270751-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-08-15 US disclosed
EP-4380936-A1 PYRAZOLOPYRIDINONE COMPOUNDS BeiGene, Ltd. (KY) 2024-06-12 EP disclosed
WO-2023011456-A1 PYRAZOLOPYRIDINONE COMPOUNDS BEIGENE, LTD. (KY) 2023-02-09 WO disclosed
US-7893256-B2 Azabicycloalkane compounds THERAVANCE, INC. (US) 2011-02-22 US disclosed
US-20100197922-A1 AZABICYCLOALKANE COMPOUNDS THERAVANCE, INC. (US) 2010-08-05 US 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 (3 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-20240300951-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK KDM4E 2009/4885NPC1 2052/4885RAB9A 981/4885
US-20100197922-A1 AZABICYCLOALKANE COMPOUNDS ADRB1, ADRB2, ADRA2B KDM4E 1429/4885NPC1 1982/4885RAB9A 1444/4885
US-20240270751-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK KDM4E 2009/4885NPC1 2052/4885RAB9A 981/4885

“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.