SCHEMBL6327211

SCHEMBL6327211

CCCCCCn1ccc(=O)c(OCc2ccccc2)c1C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
HTT P42858 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
ALDH1A1 P00352 2/20 0.68
HPGD P15428 1/20 0.68
NPC1 O15118 1/20 0.62
NPSR1 Q6W5P4 2/20 0.61
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
EEF2K O00418 2/20 0.44
EEF2 P13639 2/20 0.44
PLK4 O00444 1/20 0.44
JAK2 O60674 1/20 0.44
EGFR P00533 1/20 0.44
TYK2 P29597 1/20 0.44
FLT3 P36888 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL30982746 1.00 MEN1 (0.68) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL30982687 1.00 MEN1 (0.68) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL30982572 1.00 MEN1 (0.68) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL20382958 0.95 HTT (0.71) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3358984 0.90 HTT (0.75) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL30982631 0.89 HTT (0.53) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL30982558 0.89 HTT (0.53) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL30982726 0.89 HTT (0.53) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8108280 0.89 HTT (0.67) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8108601 0.88 HTT (0.68) MEN1KMT2AHTTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288187-A1 Inhibitor development for 4-hydroxyphenylpyruvate dioxygenase, employing tyrosinemia 1 as a model for human diseases mediated by 2-oxoacid utilizing dioxygenases ROCKEFELLER UNIVERSITY, THE 2005-12-29 US disclosed
WO-2001017497-A1 DEPIGMENTING COMPOSITIONS GHISALBERTI CARLO (BR) 2001-03-15 WO disclosed
US-6080766-A ADMINISTERING TO A PATIENT AN EFFECTIVE AMOUNT OF A HYDROXYPYRROLIDONE COMPOUND TO SUPPRESS THE FORMATION OF COLLAGEN-LIKE SUBSTANCES OR BIOSYNTHESIS OF PROCOLLAGEN CORNELL RESEARCH FOUNDATION, INC. (US) 2000-06-27 US disclosed
US-6046219-A ADMINISTERING TO THE PATIENT FOR TREATING THE CONDITIONS MEDIATED BY COLLAGEN FORMATION TOGETHER WITH CELL PROLIFERATION A HYDROXYPYRIDINE DERIVATIVE CORNELL RESEARCH FOUNDATION, INC. (US) 2000-04-04 US disclosed
US-5965585-A SUPPRESSING FORMATION OF COLLAGEN AND COLLAGEN-LIKE SUBSTANCES OR BIOSYNTHESIS OF PROCOLLAGEN IN LIVING SYSTEMS BY ADMINISTERING A HYDROXYPYRIDONE COMPOUND ENZYME INHIBITOR OF PROTEIN HYDROXYLASE; ANTISCARRING AGENTS CORNELL RESEARCH FOUNDATION, INC. (US) 1999-10-12 US disclosed
US-5965586-A Method for the treatment of fibroproliferative disorders by application of inhibitors of protein hydroxylation CORNELL RESEARCH FOUNDATION, INC. (US) 1999-10-12 US disclosed
US-5849587-A Method of inhibiting viral replication in eukaryotic cells and of inducing apoptosis of virally-infected cells CORNELL RESEARCH FOUNDATION, INC. (US) 1998-12-15 US disclosed
US-5789426-A SUPPRESSION FORMATION OF COLLAGEN CORNELL RESEARCH FOUNDATION, INC. (US) 1998-08-04 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-20050288187-A1 Inhibitor development for 4-hydroxyphenylpyruvate dioxygenase, employing tyrosinemia 1 as a model for human diseases mediated by 2-oxoacid utilizing dioxygenases HPD, TH, PDXK MEN1 3574/4885KMT2A 1652/4885HTT 1095/4885

“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.