SCHEMBL3427256

SCHEMBL3427256

COc1ccc2c(c1OC)C(=O)C1OC1(C)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
ACHE P22303 2/20 0.41
KDM4E B2RXH2 6/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 5/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.36
USP8 P40818 1/20 0.36
USP7 Q93009 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
ALPL P05186 1/20 0.35

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
SCHEMBL12253692 0.67 RAB9A (0.76) RAB9ASMN1; SMN2NPC1ACHEKDM4E
SCHEMBL10554849 0.66 MEN1 (0.43) RAB9ASMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL4226377 0.65 RAB9A (0.57) RAB9ASMN1; SMN2NPC1ACHEKDM4E
SCHEMBL6157005 0.65 RAB9A (0.53) RAB9ASMN1; SMN2NPC1ACHEKDM4E
SCHEMBL11807026 0.62 ALDH1A1 (0.43) RAB9ASMN1; SMN2NPC1ACHEKDM4E
SCHEMBL3278153 0.61 ALDH1A1 (0.60) RAB9ASMN1; SMN2NPC1KDM4ELMNA
SCHEMBL496978 0.61 RAB9A (1.00) RAB9ASMN1; SMN2NPC1KDM4ELMNA
SCHEMBL7786089 0.61 RAB9A (0.87) RAB9ASMN1; SMN2NPC1KDM4ELMNA
SCHEMBL7970824 0.61 RAB9A (0.65) RAB9ASMN1; SMN2NPC1ACHEKDM4E
SCHEMBL9181274 0.60 RAB9A (0.65) RAB9ASMN1; SMN2NPC1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252569-B1 ANTIINFECTIVE AND ANTITUMORAL COMPOUNDS ISOLATED FROM TROPICAL LIANAS JULIUS MAXIMILIANS UNIVERSITÄT WÜRZBURG (DE) 2016-10-05 EP disclosed
US-8877718-B2 Antiinfective and antitumoral compounds isolated from tropical lianas JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) 2014-11-04 US disclosed
US-20110059911-A1 Antiinfective and Antitumoral Compounds Isolated From Tropical Lianas JULIUS-MAXIMILIANS-UNIVERSITAT WURZBURG (DE) 2011-03-10 US disclosed
EP-2252569-A2 ANTIINFECTIVE AND ANTITUMORAL COMPOUNDS ISOLATED FROM TROPICAL LIANAS Julius-Maximilians-Universität Würzburg (DE) 2010-11-24 EP disclosed
WO-2009098082-A2 ANTIINFECTIVE AND ANTITUMORAL COMPOUNDS ISOLATED FROM TROPICAL LIANAS JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) 2009-08-13 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 (1 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-20110059911-A1 Antiinfective and Antitumoral Compounds Isolated From Tropical Lianas NCL, SYNCRIP, MYC RAB9A 559/4885SMN1; SMN2 3286/4885NPC1 2002/4885

“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.