SCHEMBL2875719

SCHEMBL2875719

CC(C)(C)c1ccc(Oc2ccccc2)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.56
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CYP2D6 P10635 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
RIPK1 Q13546 1/20 0.41

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
SCHEMBL12732677 0.87 ALDH1A1 (0.47) TTRHSD17B10ALDH1A1HPGDALOX15
SCHEMBL12733465 0.86 ALDH1A1 (0.50) HSD17B10ALDH1A1HPGDALOX15TDP1
SCHEMBL10708734 0.86 ALDH1A1 (0.50) TTRHSD17B10ALDH1A1HPGDALOX15
SCHEMBL6015487 0.85 ALDH1A1 (0.61) TTRHSD17B10ALDH1A1HPGDALOX15
SCHEMBL12732630 0.85 ALDH1A1 (0.48) TTRHSD17B10ALDH1A1HPGDALOX15
SCHEMBL12732639 0.85 RAB9A (0.49) HSD17B10ALDH1A1HPGDALOX15TDP1
SCHEMBL12732756 0.84 ALDH1A1 (0.52) TTRHSD17B10ALDH1A1HPGDALOX15
SCHEMBL12732658 0.84 ALDH1A1 (0.52) TTRHSD17B10ALDH1A1HPGDALOX15
SCHEMBL12733501 0.83 ALDH1A1 (0.47) TTRHSD17B10ALDH1A1HPGDALOX15
SCHEMBL12732734 0.83 L3MBTL1 (0.48) HSD17B10ALDH1A1HPGDALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243401-A1 METHODS OF SCREENING COMPOUNDS THAT ARE CYTOTOXIC TO TUMOR CELLS AND METHODS OF TREATING TUMOR CELLS USING SUCH COMPOUND THE JOHNS HOPKINS UNIVERSITY (US) 2014-08-28 US disclosed
EP-2655706-A2 METHODS OF SCREENING COMPOUNDS THAT ARE CYTOTOXIC TO TUMOR CELLS AND METHODS OF TREATING TUMOR CELLS USING SUCH COMPOUND Ronnett, Gabrielle (US) 2013-10-30 EP disclosed
WO-2012071562-A2 METHODS OF SCREENING COMPOUNDS THAT ARE CYTOTOXIC TO TUMOR CELLS AND METHODS OF TREATING TUMOR CELLS USING SUCH COMPOUND RONNETT GABRIELLE (US) 2012-05-31 WO disclosed
US-7932283-B2 Fungicide N-cyclopropyl-sulfonylamide derivatives BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
US-7687547-B2 Diphenyl ether antimicrobial compounds RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-03-30 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 US disclosed
US-20060041025-A1 5-Alkyl (4-26 carbon atoms)-2-phenoxyphenols; enoyl reductase enzyme inhibitor; drug resistance; side-effect reduction; nicrobiocides; carriers NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-02-23 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 (2 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-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives CYP51A1, ERG28, CBR3 TTR 2985/4885HSD17B10 1544/4885ALDH1A1 2140/4885
US-20060041025-A1 5-Alkyl (4-26 carbon atoms)-2-phenoxyphenols; enoyl reductase enzyme inhibitor; drug resistance; side-effect reduction; nicrobiocides; carriers CBR1, CBR3, FAR1 TTR 3309/4885HSD17B10 73/4885ALDH1A1 855/4885

“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.