SCHEMBL3612896

SCHEMBL3612896

O=[C]c1cccc2c1-c1ccccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
PTPRC P08575 3/20 0.36
S100A4 P26447 3/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
CES2 O00748 1/20 0.36
APAF1 O14727 1/20 0.36
TERT O14746 1/20 0.36
PLIN1 O60240 1/20 0.36
TDP2 O95551 1/20 0.36
S1PR4 O95977 1/20 0.36
PLA2G1B P04054 1/20 0.36
BCHE P06276 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
PLCG1 P19174 1/20 0.36

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
SCHEMBL5520687 0.85 MEN1 (0.50) MEN1KMT2AMAPTPTPRCS100A4
SCHEMBL4012160 0.85 MAPT (0.48) MEN1KMT2AMAPTPTPRCS100A4
SCHEMBL6281274 0.76 MEN1 (0.40) MEN1KMT2AMAPTPTPRCS100A4
SCHEMBL2567528 0.76 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL28354161 0.76 ALDH1A1 (0.33) MEN1KMT2AMAPTPTPRCS100A4
SCHEMBL5576916 0.76 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL9420922 0.76 ALDH1A1 (0.33) MEN1KMT2AMAPTPTPRCS100A4
SCHEMBL11120020 0.76 ADORA2A (0.53) MEN1KMT2AMAPTPTPRCS100A4
SCHEMBL11422595 0.76 DNMT1 (0.33) MEN1KMT2AMAPTPTPRCS100A4
SCHEMBL4508095 0.76 HDAC4 (0.45) MAPTLMNAMAPK1KDM4EHTT

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-0513679-B1 Hydroxy-functional polyesters as thermoplastic barrier resins DOW CHEMICAL CO (US) 2000-06-07 EP claimed
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
EP-2089395-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UnibioScreen S.A. (BE) 2009-08-19 EP disclosed
WO-2008043846-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2008-04-17 WO disclosed
US-6355616-B1 FUNGICIDE OLIGOPEOTIDES XOMA (US) TECHNOLOGY LTD. 2002-03-12 US 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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 MEN1 1312/4885KMT2A 3612/4885MAPT 680/4885

“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.