SCHEMBL2374014

SCHEMBL2374014

C=CCc1c(C)ccc(C(=O)N(CC)CC)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSP90AA1 P07900 4/20 0.38
HSP90AB1 P08238 4/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34

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
SCHEMBL7676286 0.80 KDM4E (0.44) HPGDCYP3A4HSD17B10LMNAMEN1
SCHEMBL19141688 0.78 HPGD (0.37) HPGDCYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL9867697 0.77 CA12 (0.39) HPGDHSD17B10LMNAMEN1KMT2A
SCHEMBL8316943 0.74 GABRA1 (0.39) HPGDCYP3A4MEN1KMT2AMAPK1
SCHEMBL15007612 0.74 HPGD (0.41) HPGDCYP3A4LMNAMEN1KMT2A
SCHEMBL2436852 0.74 HPGD (0.41) HPGDCYP3A4LMNAMEN1KMT2A
SCHEMBL1053052 0.71 XDH (0.42) HPGDCYP3A4MEN1KMT2AMAPK1
SCHEMBL12126788 0.71 CA12 (0.46) CYP3A4HSD17B10LMNATSHRMAPK1
SCHEMBL2941369 0.70 HPGD (0.56) HPGDCYP3A4HSD17B10LMNAMEN1
SCHEMBL5360904 0.70 HPGD (0.57) HPGDCYP1A2CYP3A4CYP2C19HSD17B10

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 13 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
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-9611287-B2 Trioxacarcins and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-04-04 US 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-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-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
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 2890/4885CYP1A2 516/4885CYP3A4 272/4885
US-20130150314-A1 TRIOXACARCINS AND USES THEREOF PCSK9, PCSK7, ABCC9 HPGD 2873/4885CYP1A2 642/4885CYP3A4 337/4885

“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.