SCHEMBL3605646

SCHEMBL3605646

COC(=O)CCCCC(=O)/C=C/c1ccccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.51
BACE1 P56817 2/20 0.45
TFEB P19484 1/20 0.41
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LY96 Q9Y6Y9 1/20 0.39
IAPP P10997 1/20 0.39
OXER1 Q8TDS5 1/20 0.38
AR P10275 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
BCHE P06276 1/20 0.38
APP P05067 1/20 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
SCHEMBL3605647 1.00 NFE2L2 (0.51) NFE2L2BACE1TFEBKDM4EMAPT
SCHEMBL3606819 0.88 NFE2L2 (0.47) NFE2L2BACE1TFEBKDM4EMAPT
SCHEMBL3606823 0.88 NFE2L2 (0.47) NFE2L2BACE1TFEBKDM4EMAPT
SCHEMBL6001905 0.83 PPARG (0.43) NFE2L2BACE1ALDH1A1LMNAKMT2A
SCHEMBL3605650 0.81 NFE2L2 (0.42) NFE2L2BACE1TFEBKDM4EMAPT
SCHEMBL3129248 0.79 HTT (0.55) NFE2L2BACE1TFEBKDM4EMAPT
SCHEMBL3129242 0.79 HTT (0.55) NFE2L2BACE1TFEBKDM4EMAPT
SCHEMBL3126052 0.77 NFE2L2 (0.45) NFE2L2BACE1TFEBKDM4EMAPT
SCHEMBL3126050 0.77 NFE2L2 (0.45) NFE2L2BACE1TFEBKDM4EMAPT
SCHEMBL3129598 0.76 NFE2L2 (0.44) NFE2L2BACE1TFEBKDM4EMAPT

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
US-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 US disclosed
EP-1655280-A1 Dicarboxylic acid derivates with pharmaceutical properties Bayer HealthCare AG (DE) 2006-05-10 EP disclosed
EP-1216223-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-11-09 EP disclosed
EP-1216223-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES Bayer Aktiengesellschaft (DE) 2002-06-26 EP disclosed
WO-2001019778-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 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-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties PC, GOT2, SDHA NFE2L2 1644/4885BACE1 4292/4885TFEB 1324/4885

“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.