SCHEMBL6124172

SCHEMBL6124172

CC(C)(C)[Si](C)(C)OC(c1ccccc1)c1ccc(C=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.41
ALDH1A1 P00352 4/20 0.38
CYP2A6 P11509 3/20 0.38
ALDH1A3 P47895 1/20 0.34
IDO1 P14902 3/20 0.33
TDO2 P48775 3/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
TTR P02766 1/20 0.31
DRD1 P21728 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL29565971 0.85 ALDH1A1 (0.38) ALDH1A1IDO1TDO2
SCHEMBL8807193 0.80 TYR (0.48) TYRALDH1A1CYP2A6ALDH1A3ADRB2
SCHEMBL31073154 0.80 TYR (0.48) TYRALDH1A1CYP2A6ALDH1A3ADRB2
SCHEMBL6124179 0.80 SLC6A3 (0.45) ALDH1A1IDO1TDO2KMT2ASMN1; SMN2
SCHEMBL31073297 0.80 TYR (0.48) TYRALDH1A1CYP2A6ALDH1A3ADRB2
SCHEMBL30748256 0.79 LMNA (0.33) ALDH1A1IDO1TDO2ATML3MBTL1
SCHEMBL31518250 0.78 ALDH1A1 (0.43) ALDH1A1IDO1TDO2ATML3MBTL1
Benzaldehyde SCHEMBL5235499 0.77 ALDH1A1 (0.44) TYRALDH1A1CYP2A6ALDH1A3ADRB2
SCHEMBL24512659 0.75 TYR (0.50) TYRALDH1A1CYP2A6ALDH1A3IDO1
SCHEMBL29565620 0.75 HTT (0.35) HTTKDM4ESMN1; SMN2LMNADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1750706-B1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS Univ Virginia Patent Found (US) 2016-10-05 EP disclosed
US-9133136-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-09-15 US disclosed
US-20140329805-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-11-06 US disclosed
US-8642610-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-02-04 US disclosed
US-8642610-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-02-04 US disclosed
US-8298512-B2 Methods of determining β-III tubulin expression UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-10-30 US disclosed
US-20120202800-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-08-09 US disclosed
US-8178545-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-15 US disclosed
US-20070244098-A1 Dual Small Molecule Inhibitors of Cancer and Angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-10-18 US disclosed
US-20070134161-A1 METHODS OF DETERMINING BETA-III TUBULIN EXPRESSION UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-06-14 US disclosed
US-20070134161-A1 METHODS OF DETERMINING BETA-III TUBULIN EXPRESSION UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-06-14 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 (4 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-20140329805-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS TP53, MAP2, MAP1LC3B TYR 1959/4885ALDH1A1 2004/4885CYP2A6 3453/4885
US-20070134161-A1 METHODS OF DETERMINING BETA-III TUBULIN EXPRESSION TUBB3, TUBB1, TUBB TYR 2942/4885ALDH1A1 2066/4885CYP2A6 4392/4885
US-20120202800-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS TP53, MAP2, MAP1LC3B TYR 1959/4885ALDH1A1 2004/4885CYP2A6 3453/4885
US-20070244098-A1 Dual Small Molecule Inhibitors of Cancer and Angiogenesis TP53, MAP2, MAP1LC3B TYR 1959/4885ALDH1A1 2004/4885CYP2A6 3453/4885

“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.