SCHEMBL2374037

SCHEMBL2374037

COc1ccc(COC2=CCCCC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
USP2 O75604 1/20 0.45
APP P05067 5/20 0.44
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 4/20 0.43
MAOA P21397 3/20 0.42
FFAR1 O14842 1/20 0.41
HPGD P15428 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
IDO1 P14902 1/20 0.41
AGXT P21549 1/20 0.41
HTT P42858 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
SCHEMBL5664113 0.81 CYP3A4 (0.56) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL1804084 0.73
SCHEMBL3603099 0.72 GSTP1 (0.38) ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL29047378 0.71 MAOB (0.43) ALDH1A1USP2APPNPC1RAB9A
SCHEMBL11336110 0.71 GSTP1 (0.36) ALDH1A1NPC1POLBSMN1; SMN2HPGD
SCHEMBL3857144 0.70 MAOA (0.81) MAOBMAOA
SCHEMBL8607855 0.70 BACE1 (0.50) ALDH1A1USP2GAAMAPTNPC1
SCHEMBL29529648 0.70 SMN1; SMN2 (0.48) ALDH1A1APPMAPTNPC1RAB9A
SCHEMBL20000873 0.69 APP (0.80) ALDH1A1APPMAPTNPC1RAB9A
SCHEMBL15536378 0.68 ALDH1A1 (0.51) ALDH1A1APPGAAMAPTNPC1

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 ALDH1A1 2895/4885USP2 3234/4885APP 2592/4885
US-20130150314-A1 TRIOXACARCINS AND USES THEREOF PCSK9, PCSK7, ABCC9 ALDH1A1 2785/4885USP2 3356/4885APP 2751/4885

“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.