SCHEMBL7797559

SCHEMBL7797559

CCOC(=O)C(CC(=O)c1ccc(Br)cc1OC)(NC=O)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 1/20 0.37
CYP2C9 P11712 2/20 0.36
PKM P14618 1/20 0.35
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ACHE P22303 1/20 0.35
HTR4 Q13639 1/20 0.35
MAPT P10636 3/20 0.35
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
CNR2 P34972 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL7797652 0.88 L3MBTL1 (0.46) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL7791499 0.87 CNR2 (0.41) ALDH1A1CYP1A2KDM4EMEN1KMT2A
SCHEMBL7791495 0.84 NPC1 (0.46) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL9178311 0.83 L3MBTL1 (0.46) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL7802020 0.81 MEN1 (0.46) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL7799487 0.80 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL7799502 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL7797567 0.78 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19KDM4EMEN1
SCHEMBL7791536 0.78 F2R (0.42) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL9178488 0.76 MEN1 (0.44) ALDH1A1KDM4EMEN1KMT2ATSHR

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 615/4885CYP1A2 145/4885CYP2C19 345/4885

“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.