SCHEMBL7801959

SCHEMBL7801959

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
GAA P10253 1/20 0.49
HDAC3 O15379 5/20 0.48
HDAC4 P56524 5/20 0.48
HDAC1 Q13547 5/20 0.48
HDAC7 Q8WUI4 5/20 0.48
HDAC2 Q92769 5/20 0.48
HDAC10 Q969S8 5/20 0.48
HDAC11 Q96DB2 5/20 0.48
HDAC8 Q9BY41 5/20 0.48
HDAC6 Q9UBN7 5/20 0.48
HDAC9 Q9UKV0 5/20 0.48
HDAC5 Q9UQL6 5/20 0.48
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45
APEX1 P27695 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL7797583 0.88 ALDH1A1 (0.43) ALDH1A1GAARECQLTDP1MAPT
SCHEMBL7801964 0.87 SMN1; SMN2 (0.48) ALDH1A1GAAMAPK1RECQLKMT2A
SCHEMBL7799547 0.86 SMN1; SMN2 (0.45) ALDH1A1GAALMNAMAPK1TDP1
SCHEMBL7800741 0.86 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1MAPTKMT2A
SCHEMBL7799487 0.86 ALDH1A1 (0.49) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7799507 0.85 CHRM2 (0.47) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7791515 0.85 POLB (0.56) ALDH1A1GAAALOX15MAPK1RECQL
SCHEMBL7797567 0.84 ALDH1A1 (0.47) ALDH1A1GAAHDAC3HDAC4HDAC1
SCHEMBL7797497 0.84 ALDH1A1 (0.45) ALDH1A1HDAC1HDAC8MAPTGSK3B
SCHEMBL7800751 0.83 ALDH1A1 (0.60) ALDH1A1GAAHDAC3HDAC4HDAC1

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 615/4885GAA 363/4885HDAC3 721/4885

“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.