SCHEMBL2917048

SCHEMBL2917048

CCC(C)(C)Oc1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
TP53 P04637 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
LMNA P02545 3/20 0.45
GAA P10253 3/20 0.45
MAPT P10636 2/20 0.45
JAK2 O60674 1/20 0.45
HSD11B1 P28845 1/20 0.39
HSD17B3 P37058 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX15 P16050 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD2 P14416 1/20 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
SCHEMBL5587779 0.86 LMNA (0.50) TSHRTP53CA1CA2LMNA
SCHEMBL28735617 0.85 TSHR (0.45) TSHRTP53CA1CA2LMNA
SCHEMBL16173839 0.84 TSHR (0.48) TSHRTP53CA1CA2LMNA
SCHEMBL28610330 0.82 TSHR (0.47) TSHRTP53CA1CA2LMNA
SCHEMBL27927074 0.80 TP53 (0.36) TSHRTP53CA1CA2LMNA
SCHEMBL10337889 0.80 TP53 (0.48) TSHRTP53CA1CA2LMNA
SCHEMBL1805490 0.79 CA2 (0.56) TSHRTP53CA1CA2LMNA
SCHEMBL15457977 0.78 HSD17B10 (0.38) TSHRLMNAGAAMAPTHSD11B1
SCHEMBL17929073 0.78 TSHR (0.39) TSHRALDH1A1TDP1ALOX15KDM4E
SCHEMBL9744365 0.77 TP53 (0.45) TSHRTP53CA1CA2LMNA

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 TSHR 1925/4885TP53 3402/4885CA1 1582/4885

“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.