SCHEMBL3427985

SCHEMBL3427985

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.64
MAPT P10636 6/20 0.64
LMNA P02545 3/20 0.64
APAF1 O14727 1/20 0.64
MITF O75030 1/20 0.64
HTT P42858 1/20 0.64
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 3/20 0.57
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
KDM4E B2RXH2 6/20 0.46
HPGD P15428 3/20 0.46
MAPK1 P28482 3/20 0.46
BLM P54132 3/20 0.46
TP53 P04637 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
HSPD1 P10809 2/20 0.46
CDC25A P30304 2/20 0.46

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
SCHEMBL10401558 0.82 MAPT (0.62) ALDH1A1MAPTLMNAAPAF1MITF
SCHEMBL12253692 0.80 RAB9A (0.76) ALDH1A1MAPTLMNAHTTRAB9A
SCHEMBL30003269 0.78 ALDH1A1 (1.00) ALDH1A1MAPTLMNAAPAF1MITF
SCHEMBL9627716 0.78 ALDH1A1 (1.00) ALDH1A1MAPTLMNAAPAF1MITF
SCHEMBL23271796 0.77 MAPT (0.64) ALDH1A1MAPTLMNAAPAF1MITF
SCHEMBL30003449 0.77 MAPT (0.64) ALDH1A1MAPTLMNAAPAF1MITF
SCHEMBL496978 0.72 RAB9A (1.00) ALDH1A1MAPTLMNAMITFRAB9A
SCHEMBL3431641 0.72 RAB9A (0.59) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL31441200 0.71 RAB9A (0.68) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL27783998 0.71 RAB9A (0.50) ALDH1A1MAPTLMNARAB9ASMN1; SMN2

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-2252569-B1 ANTIINFECTIVE AND ANTITUMORAL COMPOUNDS ISOLATED FROM TROPICAL LIANAS JULIUS MAXIMILIANS UNIVERSITÄT WÜRZBURG (DE) 2016-10-05 EP disclosed
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-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 ALDH1A1 714/4885MAPT 4212/4885LMNA 419/4885

“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.