SCHEMBL23149668

SCHEMBL23149668

CCOC(=O)CC(=O)c1ccc(O)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MAPT P10636 4/20 0.41

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
SCHEMBL30786505 1.00 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL10662120 0.86 HDAC1 (0.51) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL29939457 0.86 HDAC1 (0.51) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL29939525 0.83 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL3656932 0.83 KMT2A (0.46) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL5752823 0.83 CXCR1 (0.46) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL3173315 0.83 DGAT1 (0.60) ALDH1A1KMT2AKDM4EMEN1GAA
SCHEMBL23149647 0.82 KDM4E (0.56) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL30786512 0.82 KDM4E (0.56) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL23149740 0.82 NNMT (0.54) ALDH1A1KMT2AKDM4EMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658991-B Preparation method and application of 3, 5-disubstituted methylpyrazolo [1,5-a ] pyrimidine-7-phenolate analogue and derivative 辽宁利锋科技开发有限公司 2023-12-15 CN disclosed
US-20210094954-A1 PREPARATION METHODS AND APPLICATIONS OF 3,5-DISUBSTITUTED METHYLPYRAZOLO[1,5-A]PYRIMIDINE-7-HYDROXYLIC SALTS XU LIFENG (US) 2021-04-01 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-20210094954-A1 PREPARATION METHODS AND APPLICATIONS OF 3,5-DISUBSTITUTED METHYLPYRAZOLO[1,5-A]PYRIMIDINE-7-HYDROXYLIC SALTS DHPS, NUDT1, DPYD ALDH1A1 346/4885KMT2A 1925/4885KDM4E 1087/4885

“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.