SCHEMBL6544007

SCHEMBL6544007

CC(C)(C)c1cc(C(=O)Nc2cc[c]cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TOP1 P11387 2/20 0.49
TOP2A P11388 2/20 0.49
TOP2B Q02880 2/20 0.49
HDAC3 O15379 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
ALOX5 P09917 2/20 0.44
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
NQO2 P16083 1/20 0.44
SNCA P37840 2/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
SYK P43405 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 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
SCHEMBL3655211 0.86 NQO2 (0.62) GAAALDH1A1TDP1TOP1TOP2A
SCHEMBL11807786 0.84 RAB9A (0.59) GAAALDH1A1TDP1TOP1TOP2A
SCHEMBL4319185 0.83 SNCA (0.65) GAAALDH1A1TDP1TOP1TOP2A
SCHEMBL5925570 0.83 MEN1 (0.55) GAAALDH1A1TDP1TOP1TOP2A
SCHEMBL6544227 0.81 TOP1 (0.51) GAATOP1TOP2ATOP2BHDAC3
SCHEMBL3660580 0.79 MEN1 (0.62) GAAALDH1A1TDP1TOP1TOP2A
SCHEMBL4322184 0.79 KMT2A (0.57) ALDH1A1ALOX5LMNANPC1RAB9A
SCHEMBL9417252 0.79 NR1H4 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL11582597 0.78 L3MBTL1 (0.54) GAAALDH1A1TDP1LMNARECQL
SCHEMBL4652364 0.77 MEN1 (0.56) ALDH1A1TOP1TOP2ATOP2BHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
CN-1255386-C Substituted fused heterocyclic compound SANKYO CO (JP) 2006-05-10 CN disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
CN-1280570-A Substituted fused heterocyclic compounds SANKYO CO (JP) 2001-01-17 CN disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 GAA 3460/4885ALDH1A1 963/4885TDP1 3647/4885

“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.