SCHEMBL12657263

SCHEMBL12657263

Cc1ccc(O)cc1N=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
GAA P10253 5/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CASP1 P29466 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 2/20 0.40
CA12 O43570 1/20 0.40
AKR1B1 P15121 1/20 0.40
UGT1A1 P22309 1/20 0.40
MAOB P27338 1/20 0.40
KDR P35968 1/20 0.40
HSD17B3 P37058 1/20 0.40
CASP7 P55210 1/20 0.40
MCL1 Q07820 1/20 0.40
CA9 Q16790 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
SCHEMBL766049 0.82 LMNA (0.44) ACHEGAAALDH1A1LMNAHPGD
Formaldehyde SCHEMBL27840138 0.78 MEN1 (0.42) ACHEGAAALDH1A1LMNAHPGD
SCHEMBL13594635 0.78 EGFR (0.40) ALDH1A1LMNAHPGDHSD17B10CYP1A2
SCHEMBL3070179 0.76 ALDH1A1 (0.45) ALDH1A1LMNAHPGDHSD17B10CYP1A2
SCHEMBL2662650 0.76 GAA (0.45) GAAALDH1A1LMNAHSD17B10CYP1A2
SCHEMBL6050007 0.74 CYP3A4 (0.50) GAAALDH1A1LMNAHPGDHSD17B10
SCHEMBL10228514 0.73 TRPA1 (0.35) GAALMNAHTTCYP3A4
SCHEMBL12878626 0.73 TRPA1 (0.35) GAALMNAHTTCYP3A4
SCHEMBL10228517 0.73 ALDH1A1 (0.52) ACHEGAAALDH1A1LMNAHPGD
SCHEMBL8283598 0.73 CA14 (0.41) GAAALDH1A1LMNAHPGDHSD17B10

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-20230151014-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE REPARE THERAPEUTICS INC. (CA) 2023-05-18 US disclosed
CN-113994258-A Curable resin composition, cured film, laminate, method for producing cured film, and semiconductor device 富士胶片株式会社 2022-01-28 CN disclosed
WO-2021055295-A1 BRD9 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE NOVARTIS AG (CH) 2021-03-25 WO disclosed
EP-2448545-B1 CATALYSED DYE SYSTEMS UNIV LEEDS (GB) 2016-09-07 EP disclosed
EP-2316413-A2 Compositions comprising an nfkb-inhibitor and a non-retinoid collagen promoter Johnson and Johnson Consumer Companies, Inc. (US) 2011-05-04 EP 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-20230151014-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE PLK1, CSNK1A1, CSNK1G1 ACHE 1899/4885GAA 1717/4885ALDH1A1 4093/4885

“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.