SCHEMBL6359443

SCHEMBL6359443

CN1C(C)(C)CCC(C(CCCOC(=O)C(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)O)C2CCC(C)(C)N(C)C2(C)C)C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
HMGCR P04035 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.30
KCNH2 Q12809 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
SCHEMBL1695282 0.84 HMGCR (0.36) GAAPKMHTTHMGCRMEN1
SCHEMBL1788650 0.80 ALDH1A1 (0.33) GAAPKMHTTMEN1KMT2A
SCHEMBL1695280 0.80 HMGCR (0.37) GAAPKMHTTHMGCRMEN1
SCHEMBL27974159 0.77 GAA (0.39) GAAPKMHTTHMGCRMEN1
SCHEMBL6359442 0.75 GAA (0.36) GAAPKMHTTHMGCRKMT2A
SCHEMBL4830860 0.73 HMGCR (0.47) GAAPKMHTTHMGCRMEN1
SCHEMBL6872532 0.72 NR5A2 (0.37) GAAHTTALDH1A1
SCHEMBL15023930 0.72 GAA (0.32) GAAPKMHTTMEN1KMT2A
SCHEMBL38994 0.72 ALDH1A1 (0.37) GAAHTTALDH1A1
SCHEMBL7759198 0.72 GAA (0.37) GAAPKMHTTHMGCRMEN1

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.