SCHEMBL5511046

SCHEMBL5511046

COC(=O)C(c1ccco1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 6/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.45
ALOX5 P09917 1/20 0.44
POLB P06746 3/20 0.43
PKM P14618 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN7 P35236 1/20 0.43
BLM P54132 1/20 0.43
ESR2 Q92731 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL5535025 0.81 ALDH1A1 (0.48) KMT2AALDH1A1GAAATMALOX5
SCHEMBL4751567 0.79 KMT2A (0.47) KMT2AALDH1A1GAAATMALOX5
SCHEMBL5511586 0.79 KMT2A (0.57) KMT2AALDH1A1ALOX5POLBPKM
SCHEMBL10369018 0.78 KMT2A (0.60) KMT2AALDH1A1GAAATMALOX5
SCHEMBL20269292 0.78 KMT2A (0.45) KMT2AALDH1A1ATMPOLBL3MBTL1
SCHEMBL5187859 0.76 ALOX5 (0.45) KMT2AALDH1A1GAAATMALOX5
SCHEMBL10585906 0.76 KMT2A (0.44) KMT2AALDH1A1GAAATMALOX5
Bromide SCHEMBL17420892 0.75 ALOX5 (0.44) KMT2AALDH1A1GAAATMALOX5
Hydrochloric Acid SCHEMBL5214675 0.75 ALOX5 (0.44) KMT2AALDH1A1GAAATMALOX5
SCHEMBL17428951 0.74 KMT2A (0.42) KMT2AALDH1A1GAAATMALOX5

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
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 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 (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-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 KMT2A 52/4885ALDH1A1 4808/4885GAA 3825/4885

“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.