SCHEMBL2909254

SCHEMBL2909254

Cc1cc(C)c([O])c(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 3/20 0.52
CA2 P00918 3/20 0.52
POLB P06746 1/20 0.52
TYR P14679 1/20 0.52
HSPA5 P11021 1/20 0.42
CYP2C19 P33261 4/20 0.41
CYP2C9 P11712 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP2D6 P10635 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 3/20 0.37
CA1 P00915 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
RAPGEF4 Q8WZA2 2/20 0.35
ALOX15 P16050 2/20 0.35

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
SCHEMBL434782 0.87 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL4391144 0.80 POLB (0.46) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL56956 0.78 RAPGEF4 (0.45) ALDH1A1CA2HSD17B10CYP1A2CA1
SCHEMBL21265843 0.77 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1CA2POLBTYR
Phosphine SCHEMBL28013108 0.75 RAPGEF4 (0.43) SMN1; SMN2ALDH1A1CA2HSD17B10CYP1A2
SCHEMBL27974118 0.75 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL16022232 0.75 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL7033950 0.75 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL2864273 0.75 HSPA5 (0.62) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL19332274 0.73 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR

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
EP-2110370-B1 Method of producing p-hydroxyphenylalkanols SUMITOMO CHEMICAL CO (JP) 2010-09-01 EP disclosed
EP-1348686-B1 Method of producing p-hydroxyphenylalkanols SUMITOMO CHEMICAL CO (JP) 2010-03-03 EP disclosed
EP-2110370-A1 Method of producing p-hydroxyphenylalkanols Sumitomo Chemical Company, Limited (JP) 2009-10-21 EP disclosed
US-6717020-B2 HIGH YIELD REACTION OF PHENOLS AND UNSATURATED ALCOHOLS IN PRESENCE OF SUCH AS TITANIUM TETRAETHOXIDE AND SODIUM METHOXIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-06 US disclosed
US-20030195379-A1 Method of producing p-Hydroxyphenylalkanols SUMITOMO CHEMICAL COMPANY, LIMITED 2003-10-16 US disclosed
EP-1348686-A1 Method of producing p-hydroxyphenylalkanols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-10-01 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-20030195379-A1 Method of producing p-Hydroxyphenylalkanols ADH1C, NR1H3, ADH5 SMN1; SMN2 4669/4885ALDH1A1 135/4885CA2 354/4885

“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.