SCHEMBL25946371

SCHEMBL25946371

Cc1cc(I)ccc1CC(N=C(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.56
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
SLC7A5 Q01650 1/20 0.34
ITGA4 P13612 2/20 0.33
ITGB7 P26010 2/20 0.33
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
PTPRC P08575 1/20 0.31
ELANE P08246 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL21732895 0.90 AAK1 (0.57) AAK1SLC7A5ITGA4ITGB7KMT2A
SCHEMBL23544360 0.89 AAK1 (0.58) AAK1KDM5AKDM4CKDM5BSLC7A5
SCHEMBL30949488 0.83 AAK1 (0.61) AAK1SLC7A5ITGA4ITGB7KMT2A
SCHEMBL29254128 0.83 AAK1 (0.61) AAK1SLC7A5ITGA4ITGB7KMT2A
SCHEMBL21029732 0.81 AAK1 (0.60) AAK1KDM5AKDM5BSLC7A5ITGA4
SCHEMBL25318130 0.81 AAK1 (0.60) AAK1SLC7A5ITGA4ITGB7PPARG
SCHEMBL18482286 0.81 AAK1 (0.54) AAK1SLC7A5ITGA4ITGB7KMT2A
SCHEMBL17586851 0.80 AAK1 (0.58) AAK1KDM5AKDM4CKDM5BSLC7A5
SCHEMBL21029168 0.80 AAK1 (0.60) AAK1SLC7A5ITGA4ITGB7KMT2A
SCHEMBL21722761 0.79 AAK1 (0.57) AAK1SLC7A5ITGA4ITGB7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242555-A1 METHOD FOR PREPARING 18F-BPA AND INTERMEDIATE NEUBORON MEDTECH LTD. (CN) 2023-08-03 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-20230242555-A1 METHOD FOR PREPARING 18F-BPA AND INTERMEDIATE CYP19A1, SHBG, ESR1 AAK1 2159/4885KDM5A 819/4885KDM4C 1241/4885

“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.