SCHEMBL3565631

SCHEMBL3565631

Brc1ccc2c3c(ccc2c1)OCCCCOc1ccc2cc(Br)ccc2c1-3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
BLM P54132 1/20 0.44
SIRT2 Q8IXJ6 7/20 0.38
SIRT1 Q96EB6 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DPP4 P27487 2/20 0.36
ERN1 O75460 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
AHR P35869 2/20 0.35
CYP2A6 P11509 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL3568948 0.97 MAPT (0.44) MAPTLMNAHTTBLMSIRT2
SCHEMBL3568497 0.93 MAPT (0.52) MAPTLMNAHTTBLMSIRT2
SCHEMBL13568204 0.91 MAPT (0.38) MAPTLMNAHTTBLMSIRT2
SCHEMBL14548104 0.88 MAPT (0.38) MAPTLMNAHTTBLMSIRT2
SCHEMBL3561759 0.86 SIRT2 (0.40) MAPTLMNAHTTBLMSIRT2
SCHEMBL13568115 0.84 LMNA (0.44) MAPTLMNAHTTBLMSIRT2
SCHEMBL24399507 0.81 LMNA (0.41) MAPTLMNAHTTBLMSIRT2
SCHEMBL4031496 0.80 MAPT (0.42) MAPTLMNAHTTBLMSIRT2
SCHEMBL14870330 0.79 CYP2A6 (0.44) MAPTSIRT2SIRT1MEN1KMT2A
SCHEMBL13568203 0.76 SMPD1 (0.34) NPC1RAB9A

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
US-7771801-B2 Chiral compounds MERCK PATENT GMBH (DE) 2010-08-10 US disclosed
US-7771801-B2 Chiral compounds MERCK PATENT GMBH (DE) 2010-08-10 US disclosed
EP-1928854-B1 CHIRAL COMPOUNDS MERCK PATENT GMBH (DE) 2009-12-16 EP disclosed
US-20080281108-A1 Chiral Compounds MERCK PATENT GMBH (DE) 2008-11-13 US disclosed
US-20080281108-A1 Chiral Compounds MERCK PATENT GMBH (DE) 2008-11-13 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-20080281108-A1 Chiral Compounds LAGE3, DDT, CUTA MAPT 2299/4885LMNA 761/4885HTT 598/4885

“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.