SCHEMBL7800751

SCHEMBL7800751

CCOC(=O)C(CC(=O)c1ccc(OC)cc1)(NC(C)=O)C(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
RECQL P46063 2/20 0.51
PKM P14618 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
HDAC3 O15379 4/20 0.49
HDAC4 P56524 4/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC7 Q8WUI4 4/20 0.49
HDAC2 Q92769 4/20 0.49
HDAC10 Q969S8 4/20 0.49
HDAC11 Q96DB2 4/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
HDAC9 Q9UKV0 4/20 0.49
HDAC5 Q9UQL6 4/20 0.49
THRB P10828 1/20 0.49
HTT P42858 2/20 0.48
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL16143340 0.86 ALDH1A1 (0.57) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL12912525 0.85 ALDH1A1 (0.52) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL16143319 0.85 ALDH1A1 (0.47) ALDH1A1RECQLPKMKDM4EGAA
SCHEMBL7801944 0.85 ALDH1A1 (0.50) ALDH1A1RECQLPKMKDM4EGAA
SCHEMBL5036126 0.85 ALDH1A1 (0.66) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL16143268 0.84 ALDH1A1 (0.53) ALDH1A1RECQLPKMKDM4EGAA
SCHEMBL7801959 0.83 ALDH1A1 (0.58) ALDH1A1RECQLGAAHDAC3HDAC4
SCHEMBL5402060 0.83 ALDH1A1 (0.60) ALDH1A1RECQLPKMKDM4EGAA
SCHEMBL7797578 0.83 ALDH1A1 (0.50) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL2468547 0.83 ALDH1A1 (0.47) ALDH1A1RECQLPKMKDM4EGAA

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-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
EP-0662948-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES WITH KYNURENINASE AND/OR KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1995-07-19 EP disclosed
WO-1995003271-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES WITH KYNURENINASE AND/OR KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA S.P.A. (IT) 1995-02-02 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-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.