SCHEMBL5632450

SCHEMBL5632450

CCCCN(CCCOc1cccc(C(=O)O)n1)c1ncc(CC)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37

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
SCHEMBL2460027 0.79 KDM4E (0.50) KDM4EALDH1A1ALOX15LMNACYP1A2
SCHEMBL5632047 0.79 PPARG (0.40) MEN1MAPTKMT2A
SCHEMBL5633651 0.79 LMNA (0.38) KDM4EALDH1A1ALOX15LMNACYP1A2
SCHEMBL2270674 0.78 KDM4E (0.48) KDM4EALDH1A1ALOX15LMNACYP1A2
SCHEMBL5633134 0.77 TOP2A (0.42) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL5631938 0.77 PPARD (0.48) ALDH1A1ALOX15LMNACYP1A2TSHR
SCHEMBL9094639 0.77 TSHR (0.49) KDM4EALOX15TSHRTDP1MEN1
SCHEMBL2270702 0.76 TSHR (0.48) KDM4EALOX15TSHRTDP1MEN1
SCHEMBL25049243 0.75 KDM4E (0.52) KDM4EALOX15LMNACYP1A2TSHR
SCHEMBL5676049 0.75 PLA2G4B (0.54) KDM4EALDH1A1PTPN11GAACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders KALYPSYS, INC. 2007-09-06 US disclosed
US-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders KALYPSYS, INC. 2007-09-06 US disclosed
US-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders KALYPSYS, INC. 2007-09-06 US disclosed
WO-2004092130-A2 N-CONTAINING HETEROAROMATIC COMPOUNDS AS MODULATORS OF PPARS AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2004-10-28 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-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders PPARG, PPARA, PPARD KDM4E 3794/4885ALDH1A1 877/4885ALOX15 770/4885

“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.