SCHEMBL5233440

SCHEMBL5233440

CCCCOc1c(C(=O)O)n(CC(C)(C)C)c(=O)c2cc3ccccc3cc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.37
PLA2G2A P14555 7/20 0.37
DHODH Q02127 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
PTPN11 Q06124 1/20 0.36
METAP2 P50579 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL5231036 0.89 L3MBTL1 (0.43) L3MBTL1GAAMAPTPLA2G2AALDH1A1
SCHEMBL5238926 0.89 KDM4E (0.41) L3MBTL1GAAMAPTALDH1A1LMNA
SCHEMBL5233243 0.87 PLA2G2A (0.38) GAAPLA2G2AALDH1A1
SCHEMBL5234027 0.86 PGR (0.43) MAPTPLA2G2AALDH1A1
SCHEMBL5233619 0.86 PLA2G2D (0.41) ALDH1A1
SCHEMBL5233462 0.86 PLA2G2D (0.41) ALDH1A1
SCHEMBL5237418 0.86 CNR2 (0.40) PLA2G2AALDH1A1
SCHEMBL5233258 0.85 MEN1 (0.38) L3MBTL1GAAPLA2G2AALDH1A1
SCHEMBL6109513 0.85 RORA (0.40) L3MBTL1GAAPLA2G2AALDH1A1
SCHEMBL5237316 0.84 PTGER4 (0.37) GAAMAPTPLA2G2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 L3MBTL1 1135/4885GAA 310/4885MAPT 4855/4885

“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.