SCHEMBL5236533

SCHEMBL5236533

CCOC(=O)c1c(O)c2cc(Cl)c(Cl)cc2c(=O)n1CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
TNF P01375 1/20 0.38
MAPT P10636 3/20 0.38
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.37
BCL2L1 Q07817 1/20 0.36
TP53 P04637 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL5236340 0.88 ALDH1A1 (0.40) ALDH1A1MAPTBAZ2BBAZ2AGAA
SCHEMBL5237473 0.83 ALDH1A1 (0.41) ALDH1A1MAPTBAZ2BBAZ2AGAA
SCHEMBL5234123 0.83 ESR1 (0.38) ALDH1A1TNFMAPTBAZ2BBAZ2A
SCHEMBL5238661 0.82 ATM (0.41) ALDH1A1MAPTBAZ2BBAZ2AGAA
SCHEMBL5237248 0.82 LMNA (0.39) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL5236008 0.82 LMNA (0.39) ALDH1A1TNFMAPTGAAKDM4E
SCHEMBL6110656 0.82 SMN1; SMN2 (0.50) ALDH1A1MAPTKDM4EKMT2ATSHR
SCHEMBL5235591 0.82 L3MBTL1 (0.39) ALDH1A1TNFMAPTBAZ2BBAZ2A
SCHEMBL5238633 0.82 ALDH1A1 (0.48) ALDH1A1BAZ2BBAZ2AGAAKDM4E
SCHEMBL5238563 0.81 MAPT (0.52) ALDH1A1MAPTGAAKDM4EMEN1

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 ALDH1A1 387/4885TNF 4760/4885MAPT 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.