SCHEMBL6544907

SCHEMBL6544907

CC(C)(C)c1[c]cc(C(C)(C)C)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.52
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 2/20 0.52
CYP1A2 P05177 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ATP2A2 P16615 1/20 0.52
ATP2A3 Q93084 1/20 0.52
TP53 P04637 3/20 0.39
LMNA P02545 3/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C9 P11712 3/20 0.39
HTT P42858 3/20 0.39
TYR P14679 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NR1I2 O75469 1/20 0.39
MIF P14174 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TDP1 Q9NUW8 3/20 0.38

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
SCHEMBL5094246 0.79 MAPT (0.35) ALOX15ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL4112873 0.78 ALDH1A1 (0.36) ALOX15ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL931545 0.78 ALOX15 (0.52) ALOX15ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL4679784 0.76 CYP1A2 (0.34) ALOX15ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL2513533 0.71 CYP1A2 (0.34) ALOX15ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL2423972 0.71 CYP3A4 (0.46) ALOX15ALDH1A1MAPTTP53LMNA
SCHEMBL38604 0.70 ALOX15 (1.00) ALOX15ALDH1A1SMN1; SMN2MAPTCYP1A2
Methoxymethane SCHEMBL9777263 0.69 ALDH1A1 (0.83) ALOX15ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL31310910 0.68 ALOX15 (0.94) ALOX15ALDH1A1SMN1; SMN2MAPTCYP1A2
Methane SCHEMBL28686923 0.68 ALOX15 (0.94) ALOX15ALDH1A1SMN1; SMN2MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996443-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-05-03 EP claimed
WO-1999001128-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-01-14 WO claimed
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
WO-2014121036-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 WO disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6515133-B1 Certain diaryl imidazoles act as partial agonists or antagonists for NPY receptors, in particular NPY 5 receptors. They are of use, for example in treating loss of appetite. Such compounds bear aryl groups in the 2 position. NEUROGEN CORPORATION 2003-02-04 US 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
US-6121260-A Method of treating conditions susceptible to modulation of NPY receptors with diarylimidazole derivatives NEUROGEN CORPORATION (US) 2000-09-19 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed
EP-0996443-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-05-03 EP disclosed
WO-1999001128-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-01-14 WO disclosed
US-4298520-A PHOSPHITES OR PHOSPHATES ARGUS CHEMICAL CORP. (US) 1981-11-03 US disclosed
US-4293472-A O-ALKYLHYDROXYBENZYLPROPANE-1,3-DIOL ESTERS CONTAINING SULFIDE GROUPS ADEKA ARGUS CHEMICAL CO., LTD. 1981-10-06 US disclosed
US-4171298-A SUBSTITUTED ORTHO-ALKYLHYDROXYBENZYLPROPANE-1,3-DIOL ESTERS ARGUS CHEMICAL CORPORATION (US) 1979-10-16 US disclosed
US-4030931-A PHOTOGRAPHY, SILVER HALIDES FUJI PHOTO FILM CO., LTD. (JA) 1977-06-21 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-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 ALOX15 1574/4885ALDH1A1 963/4885SMN1; SMN2 2291/4885

“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.