SCHEMBL2436852

SCHEMBL2436852

CC=Cc1c(C)ccc(C(=O)N(CC)CC)c1O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.41
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSP90AA1 P07900 5/20 0.39
HSP90AB1 P08238 5/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
RECQL P46063 1/20 0.36
KEAP1 Q14145 1/20 0.35
KDM4A O75164 1/20 0.35
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
COMT P21964 1/20 0.34
CYP3A4 P08684 2/20 0.33

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
SCHEMBL15007612 1.00 HPGD (0.41) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL16994189 0.88 HPGD (0.41) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2373406 0.79 PTPN1 (0.35) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL15007570 0.79 PTPN1 (0.35) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2374014 0.74 HPGD (0.42) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2941369 0.72 HPGD (0.56) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL31276129 0.72 HPGD (0.49) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4941424 0.70 HSP90AA1 (0.45) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL16904122 0.69 TSHR (0.51) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4484764 0.69 CYP3A4 (0.44) HPGDHSP90AA1HSP90AB1TSHRALDH1A1

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
EP-2550285-B1 TRIOXACARCINS AND USES THEREOF HARVARD COLLEGE (US) 2017-07-19 EP disclosed
US-9611287-B2 Trioxacarcins and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-04-04 US disclosed
US-20160355537-A1 TRIOXACARCINS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-12-08 US disclosed
US-9102697-B2 Trioxacarcins and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-08-11 US disclosed
US-20130150314-A1 TRIOXACARCINS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-06-13 US disclosed
EP-2550285-A1 TRIOXACARCINS AND USES THEREOF President and Fellows of Harvard College (US) 2013-01-30 EP disclosed
WO-2011119549-A1 TRIOXACARCINS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-09-29 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 (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-20160355537-A1 TRIOXACARCINS AND USES THEREOF PCSK9, PCSK7, PCSK6 HPGD 2890/4885LMNA 685/4885MEN1 2208/4885
US-20130150314-A1 TRIOXACARCINS AND USES THEREOF PCSK9, PCSK7, ABCC9 HPGD 2873/4885LMNA 680/4885MEN1 1814/4885

“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.