SCHEMBL7799501

SCHEMBL7799501

CCOC(=O)C(CC(=O)c1ccc(Cl)c(Cl)c1)(NC(C)=O)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
RECQL P46063 1/20 0.49
PKM P14618 2/20 0.48
KDM4E B2RXH2 2/20 0.48
THRB P10828 1/20 0.47
MAPK1 P28482 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMO O15229 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL7797586 0.84 MAPT (0.45) ALDH1A1PKMKDM4EMAPK1MAPT
SCHEMBL7800778 0.84 ALDH1A1 (0.51) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL8657896 0.81 MAPT (0.43) ALDH1A1KDM4EMAPK1MAPTNPSR1
SCHEMBL12912525 0.81 ALDH1A1 (0.52) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL2468547 0.81 ALDH1A1 (0.47) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL5036126 0.80 ALDH1A1 (0.66) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL9261475 0.80 ALDH1A1 (0.65) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL7800751 0.80 ALDH1A1 (0.60) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL7799486 0.79 POLB (0.54) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL5402060 0.79 ALDH1A1 (0.60) ALDH1A1RECQLPKMKDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010008947-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES VARASI MARIO (IT) 2001-07-19 US disclosed
EP-0662948-B1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES WITH KYNURENINASE AND/OR KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN SPA (IT) 1998-10-07 EP 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-20010008947-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES KYNU, KMO, ABAT ALDH1A1 615/4885RECQL 4560/4885PKM 381/4885

“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.