SCHEMBL18807015

SCHEMBL18807015

COc1nc(C)cc(-c2ccco2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.45
▸ ALDH1A1 P00352 7/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ MAPT P10636 5/20 0.43
▸ TDP1 Q9NUW8 4/20 0.43
▸ POLB P06746 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ THRB P10828 2/20 0.43
▸ ALOX12 P18054 2/20 0.43
▸ PTPN7 P35236 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ BLM P54132 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ ADORA2A P29274 4/20 0.42

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
SCHEMBL17335791 0.84 MAPT (0.43) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL23162725 0.83 MAPT (0.42) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL21398283 0.80 ADORA3 (0.55) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL27786388 0.77 MEN1 (0.40) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL30353595 0.77 ADORA2A (0.50) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL15921756 0.77 KDM4E (0.53) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL11272349 0.74 KDM4E (0.41) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL24689626 0.74 LMNA (0.51) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL18812374 0.74 POLB (0.52) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL15080589 0.73 MEN1 (0.79) ALDH1A1MEN1KMT2AKDM4EMAPT

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-20170121357-A1 COMPLEXES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-05-04 — — 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-20170121357-A1 COMPLEXES CYCS, AP1M1, SOD1 PDE10A 3390/4885ALDH1A1 1404/4885MEN1 691/4885

“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.

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