SCHEMBL4211344

SCHEMBL4211344

CC(C)Nc1cc(C(C)(C)C)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
RECQL P46063 1/20 0.48
IDO1 P14902 2/20 0.44
CYP2D6 P10635 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B2 P37059 4/20 0.41
WDR5 P61964 1/20 0.41
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL29441554 0.89 ESR1 (0.52) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4219878 0.89 ESR1 (0.52) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL31419840 0.89 ESR1 (0.52) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL30035302 0.79 ALDH1A1 (0.59) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL5486791 0.79 ALDH1A1 (0.59) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4543829 0.76 IDO1 (0.50) MAPTIDO1HDAC2
SCHEMBL4968569 0.76 ALDH1A1 (0.43) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL28091168 0.75 GAA (0.49) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL20393776 0.74 CYP2C19 (0.37) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL20393607 0.74 GAA (0.41) ALDH1A1HPGDALOX15HSD17B10TDP1

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-7498467-B2 Antioxidant and bisaminophenol derivative IDEMITSU KOSAN CO., LTD. (JP) 2009-03-03 US disclosed
US-20080161608-A1 ANTIOXIDANT AND BISAMINOPHENOL DERIVATIVE IDEMITSU KOSAN CO., LTD. (JP) 2008-07-03 US disclosed
US-20060208227-A1 Antioxidant and bisaminophenol derivative IDEMITSU LOSAN CO., LTD (JP) 2006-09-21 US disclosed
EP-1612254-A1 ANTIOXIDANT AND BISAMINOPHENOL DERIVATIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 2006-01-04 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-20080161608-A1 ANTIOXIDANT AND BISAMINOPHENOL DERIVATIVE CBR1, CBR3, HMOX1 ALDH1A1 204/4885HPGD 208/4885ALOX15 1352/4885

“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.