SCHEMBL7843399

SCHEMBL7843399

COc1cc(C(C)(C)C)cc(O)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.50
CYP3A4 P08684 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.47
ALOX15 P16050 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
TUBB1 Q9H4B7 4/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.40
TUBB4A P04350 3/20 0.40
TUBB P07437 3/20 0.40

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
SCHEMBL11871934 0.87 TDP1 (0.58) TPMTCYP3A4MAPTHPGDALOX15
SCHEMBL1754083 0.85 ACHE (0.54) CYP3A4MAPTHPGDALDH1A1TP53
SCHEMBL8739936 0.83 EGFR (0.49) CYP3A4MAPTHPGDALOX15TDP1
SCHEMBL4297642 0.80 ALOX15 (0.46) CYP3A4MAPTHPGDALOX15TDP1
SCHEMBL1425172 0.80 HPGD (0.46) CYP3A4MAPTHPGDALOX15TDP1
SCHEMBL30455185 0.80 HPGD (0.46) CYP3A4MAPTHPGDALOX15TDP1
SCHEMBL19351217 0.79 ACHE (0.43) CYP3A4MAPTHPGDALOX15ALDH1A1
SCHEMBL12024914 0.79 ACHE (0.48) CYP3A4MAPTALDH1A1TP53LMNA
SCHEMBL10028316 0.79 LMNA (0.48) CYP3A4MAPTHPGDALOX15TP53
SCHEMBL10019863 0.78 CYP3A4 (0.42) CYP3A4MAPTHPGDALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150073045-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO CORNELL UNIVERSITY (US) 2015-03-12 US disclosed
US-8563603-B2 Polycyclic compounds and methods related thereto CORNELL UNIVERSITY (US) 2013-10-22 US disclosed
US-8377945-B2 Small molecule inhibitors of spleen tyrosine kinase (SYK) RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 US disclosed
US-8377945-B2 Small molecule inhibitors of spleen tyrosine kinase (SYK) RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 US disclosed
US-20110275708-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO CORNELL UNIVERSITY (US) 2011-11-10 US disclosed
US-20110275708-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO CORNELL UNIVERSITY (US) 2011-11-10 US disclosed
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) MIDCAP FINANCIAL TRUST 2010-12-16 US disclosed
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) MIDCAP FINANCIAL TRUST 2010-12-16 US disclosed
US-7244847-B2 Benzimidazole compounds ISIS PHARMACEUTICALS, INC. (US) 2007-07-17 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 (3 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-20150073045-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO PKD1, THPO, CCNO TPMT 773/4885CYP3A4 3815/4885MAPT 3462/4885
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, BTK, LCK TPMT 416/4885CYP3A4 4455/4885MAPT 4045/4885
US-20110275708-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO PKD1, THPO, CCNO TPMT 895/4885CYP3A4 3851/4885MAPT 3680/4885

“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.