SCHEMBL5846876

SCHEMBL5846876

COC(=O)[C@@H]1Cc2ccccc2O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
AOC2 O75106 5/20 0.47
MAOA P21397 5/20 0.47
MAOB P27338 5/20 0.47
DAO P14920 1/20 0.47

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
SCHEMBL5846867 1.00 HPGD (0.54) HPGDTSHRNFKB1NFKB2RELA
SCHEMBL3519014 1.00 HPGD (0.54) HPGDTSHRNFKB1NFKB2RELA
SCHEMBL27894469 0.85 HPGD (0.55) HPGDTSHRNFKB1NFKB2RELA
SCHEMBL5848091 0.84 CYP4F2 (0.47) HPGDTSHRNFKB1NFKB2RELA
SCHEMBL4926783 0.84 CYP4F2 (0.47) HPGDTSHRNFKB1NFKB2RELA
SCHEMBL5848088 0.84 CYP4F2 (0.47) HPGDTSHRNFKB1NFKB2RELA
SCHEMBL29588217 0.84 CYP4F2 (0.47) HPGDTSHRNFKB1NFKB2RELA
SCHEMBL9129772 0.83 CYP4F2 (0.52) HPGDTSHRNFKB1NFKB2RELA
SCHEMBL2153055 0.81 HPGD (0.49) HPGDTSHRNFKB1NFKB2RELA
SCHEMBL2152568 0.81 HPGD (0.58) HPGDTSHRNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012165399-A1 IMIDAZOPYRIDINE COMPOUND アステラス製薬株式会社 (JP) 2012-12-06 WO disclosed
US-7034051-B2 Fused bicyclic carboxamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-04-25 US disclosed
WO-2005023799-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-03-17 WO disclosed
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-03-10 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-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CPS1 HPGD 408/4885TSHR 3708/4885NFKB1 3824/4885

“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.