SCHEMBL4774827

SCHEMBL4774827

Brc1ccc(OCCCOC2CCCCO2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
KDM4C Q9H3R0 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 3/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNH2 Q12809 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
MAOB P27338 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.39
LTA4H P09960 1/20 0.38
PTGS2 P35354 1/20 0.38
LSS P48449 2/20 0.38

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
SCHEMBL4594361 0.97 MEN1 (0.68) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL17313725 0.94 MEN1 (0.62) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL7263741 0.93 MEN1 (0.59) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL12126606 0.87 MEN1 (0.57) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL12126612 0.86 MEN1 (0.64) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL15460111 0.86 MEN1 (0.68) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL21229069 0.84 MEN1 (0.56) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL24505004 0.83 MEN1 (0.50) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL13531288 0.83 MEN1 (0.68) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL4074508 0.83 MEN1 (0.48) MEN1KMT2AKDM4CNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110274713-A1 ANTIGEN-PRESENTING SCAFFOLDS THE UNIVERSITY OF QUEENSLAND (AU) 2011-11-10 US disclosed
US-20110274713-A1 ANTIGEN-PRESENTING SCAFFOLDS THE UNIVERSITY OF QUEENSLAND (AU) 2011-11-10 US disclosed
WO-2010015022-A1 ANTIGEN-PRESENTING SCAFFOLDS THE UNIVERSITY OF QUEENSLAND (AU) 2010-02-11 WO disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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 (3 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 MEN1 786/4885KMT2A 1240/4885KDM4C 1295/4885
US-20110274713-A1 ANTIGEN-PRESENTING SCAFFOLDS CD74, LY96, MICA MEN1 3636/4885KMT2A 2424/4885KDM4C 1186/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MEN1 1171/4885KMT2A 1300/4885KDM4C 1332/4885

“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.