SCHEMBL6359442

SCHEMBL6359442

CCCC(OC(=O)C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O)(C1CCC(C)(C)N(C)C1(C)C)C1CCC(C)(C)N(C)C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
HMGCR P04035 2/20 0.34
MAOB P27338 3/20 0.31
MAOA P21397 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
GPR55 Q9Y2T6 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
SCHEMBL1695272 0.84 GAA (0.36) GAAPKMHTTHMGCRMAOB
SCHEMBL10724436 0.80 GAA (0.36) GAAPKMHTTHMGCRMAOB
SCHEMBL1695268 0.80 GAA (0.37) GAAPKMHTTHMGCRMAOB
SCHEMBL2483026 0.77 GAA (0.32) GAAPKMHTT
SCHEMBL27974159 0.77 GAA (0.39) GAAPKMHTTHMGCRMAOB
SCHEMBL6359443 0.75 GAA (0.34) GAAPKMHTTHMGCRMAOB
SCHEMBL4022387 0.70 GAA (0.35) GAAPKMHTT
SCHEMBL4453275 0.70 NR5A2 (0.35) GAAPKMHTTALDH1A1KMT2A
SCHEMBL29816287 0.70 GAA (0.34) GAAPKMHTTMAOBMAOA
SCHEMBL29379775 0.69 NR5A2 (0.37) GAAPKMHTTALDH1A1KMT2A

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
US-6919454-B2 Biphenyl-substituted triazines CIBA SPECIALTY CHEMICALS CORP. (US) 2005-07-19 US disclosed
US-20050019281-A1 Biphenyl-substituted triazines FLETCHER IAN JOHN (CH) 2005-01-27 US disclosed
US-5955517-A POLAR ADSORPTIVE ORGANIC FIBERS OR PARTICLES ONTO WHICH IS BOUND POLAR ANTISTATIC AGENT COMPRISING MIXTURE OF POLYOXYALKYLENE AND SALT OF PROTIC ACID CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-09-21 US disclosed
US-5688995-A SUNSCREEN AGENTS CIBA-GEIGY CORPORATION (US) 1997-11-18 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-20050019281-A1 Biphenyl-substituted triazines TYR, AHR, CUTA GAA 2843/4885PKM 4049/4885HTT 1447/4885

“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.