SCHEMBL6124173

SCHEMBL6124173

O=Cc1ccc(C(O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
CYP2A6 P11509 2/20 0.54
TYR P14679 1/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2D6 P10635 1/20 0.43
SRD5A2 P31213 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9883870 0.82 ALDH1A1 (0.59) ALDH1A1CYP2A6TYRALDH5A1ABAT
SCHEMBL3697863 0.82 ALDH1A1 (0.59) ALDH1A1CYP2A6TYRALDH5A1ABAT
SCHEMBL2642178 0.82 UNG (0.48) ALDH1A1CYP2A6CA12CA1CA2
SCHEMBL566014 0.81 TYR (0.48) ALDH1A1CYP2A6TYRALDH5A1ABAT
SCHEMBL8671295 0.81 SMN1; SMN2 (0.58) CA12CA1CA2CA9CA14
Benzaldehyde SCHEMBL6981383 0.80 ALDH1A1 (0.64) ALDH1A1CYP2A6TYRCYP2D6LMNA
SCHEMBL19137403 0.80 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA9
SCHEMBL11018840 0.80 SMN1; SMN2 (0.66) ALDH1A1TYRSMN1; SMN2LMNAL3MBTL1
Diphenylmethanol SCHEMBL27594793 0.79 SMN1; SMN2 (0.48) CA12CA1CA2CA9CA14
SCHEMBL11062159 0.79 CYP3A4 (0.53) ALDH1A1CYP2A6TYRALDH5A1ABAT

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 25 patents — showing the first 20. 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-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-20140329805-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-11-06 US disclosed
CN-102249872-B Method for producing aldehyde and ketone SHINETSU CHEMICAL CO 2014-06-18 CN 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-8298512-B2 Methods of determining β-III tubulin expression UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-10-30 US disclosed
US-20070244098-A1 Dual Small Molecule Inhibitors of Cancer and Angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-10-18 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
EP-1423381-B1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORP (US) 2007-01-03 EP disclosed
US-6518268-B1 Telomerase inhibitors and methods of their use GERON CORPORATION 2003-02-11 US disclosed
CN-1321153-A telomerase inhibitors and methods of use thereof GERON CORP (US) 2001-11-07 CN disclosed
WO-2001002377-A9 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORP (US) 2001-10-11 WO disclosed
EP-1109796-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE Geron Corporation (US) 2001-06-27 EP disclosed
WO-2001002377-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORPORATION (US) 2001-01-11 WO 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-20140329805-A1 DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS TP53, MAP2, MAP1LC3B ALDH1A1 2004/4885CYP2A6 3453/4885TYR 1959/4885
US-20070134161-A1 METHODS OF DETERMINING BETA-III TUBULIN EXPRESSION TUBB3, TUBB1, TUBB ALDH1A1 2066/4885CYP2A6 4392/4885TYR 2942/4885
US-20070244098-A1 Dual Small Molecule Inhibitors of Cancer and Angiogenesis TP53, MAP2, MAP1LC3B ALDH1A1 2004/4885CYP2A6 3453/4885TYR 1959/4885

“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.