SCHEMBL6927713

SCHEMBL6927713

CC(C)(C)c1ccc(O)c(C2CO2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.47
PKM P14618 2/20 0.47
KMT2A Q03164 2/20 0.47
RECQL P46063 1/20 0.47
CYP2D6 P10635 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KIF11 P52732 4/20 0.41
LMNA P02545 1/20 0.38
TYR P14679 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL4353153 0.83 ESR1 (0.50) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL15238949 0.82 ESR1 (0.47) ALDH1A1HPGDALOX15HSD17B10MAPT
SCHEMBL11308536 0.75 ALDH1A1 (0.52) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL7929735 0.75 DYRK1A (0.40) ALDH1A1ALOX15HSD17B10LMNATYR
SCHEMBL3133679 0.74 CYP2D6 (0.54) ALDH1A1HPGDALOX15HSD17B10TDP1
Methane SCHEMBL27697714 0.72 CYP2D6 (0.52) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL3846964 0.71 ALDH1A1 (0.47) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL14973391 0.71 CYP2D6 (0.53) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL50705 0.69 ALDH1A1 (1.00) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL29358687 0.69 ALDH1A1 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6646093-B2 Extruding auxiliary for cement materials, a mortar thickening agent, an underwater concrete thickening agent, a ceramics forming binder and a moisturizer for hair cosmetics; water and shape retention. MITSUI CHEMICALS, INC. (JP) 2003-11-11 US disclosed
US-6515050-B1 An extruding auxiliary using the above novel water-soluble polyurethane; additive for underwater concrete MITSUI CHEMICALS, INC. (JP) 2003-02-04 US disclosed
US-20020045724-A1 Water-souluble polyurthane having comb-shaped hydrophobic group and application thereof MITSUI TAKEDA CHEMICALS, INC. (JP) 2002-04-18 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-20020045724-A1 Water-souluble polyurthane having comb-shaped hydrophobic group and application thereof BMI1, ASH2L, HAT1 ALDH1A1 804/4885HPGD 1225/4885ALOX15 1444/4885

“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.