SCHEMBL3596587

SCHEMBL3596587

COC(=O)CCCCC(C=Cc1ccccc1OC)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.42
PPARG P37231 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 4/20 0.39
TP53 P04637 2/20 0.39
MAOB P27338 2/20 0.38
TFEB P19484 1/20 0.38
MAPT P10636 5/20 0.38
LMNA P02545 4/20 0.38
NPC1 O15118 2/20 0.38
BCHE P06276 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 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
SCHEMBL3596584 1.00 NFE2L2 (0.42) NFE2L2PPARGMEN1KMT2APOLB
SCHEMBL3596589 1.00 NFE2L2 (0.42) NFE2L2PPARGMEN1KMT2APOLB
SCHEMBL9442349 0.92 MEN1 (0.47) NFE2L2PPARGMEN1KMT2APOLB
SCHEMBL13443176 0.91 NFE2L2 (0.45) NFE2L2KMT2AHPGDTP53MAOB
SCHEMBL6001896 0.90 KMT2A (0.51) PPARGMEN1KMT2APOLBPKM
SCHEMBL6285103 0.90 KMT2A (0.51) PPARGMEN1KMT2APOLBPKM
SCHEMBL6285097 0.90 KMT2A (0.51) PPARGMEN1KMT2APOLBPKM
SCHEMBL13443175 0.87 MAPT (0.44) MEN1KMT2APOLBTDP1HPGD
SCHEMBL13443173 0.86 EGFR (0.38) MEN1KMT2APOLBPKMBLM
SCHEMBL13443174 0.85 MAOB (0.41) NFE2L2PPARGMEN1KMT2AMAOB

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-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-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 1644/4885PPARG 206/4885MEN1 2233/4885

“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.