SCHEMBL4818246

SCHEMBL4818246

CC(C)(C)C(=O)Nc1cc2ccc(O)cc2oc1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.64
POLB P06746 1/20 0.61
HSD17B3 P37058 1/20 0.55
MIF P14174 8/20 0.55
KDM4E B2RXH2 4/20 0.55
GLA P06280 3/20 0.55
GAA P10253 3/20 0.55
MEN1 O00255 2/20 0.55
S1PR4 O95977 2/20 0.55
MAPT P10636 2/20 0.55
S1PR1 P21453 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
MAOA P21397 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CASP1 P29466 1/20 0.50

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
SCHEMBL1607327 0.85 KDM4E (0.68) TP53POLBHSD17B3MIFKDM4E
SCHEMBL25002431 0.84 TP53 (0.58) TP53POLBHSD17B3MIFKDM4E
SCHEMBL4822418 0.82 TP53 (0.74) TP53POLBHSD17B3MIFKDM4E
SCHEMBL10706447 0.82 TP53 (0.62) TP53POLBHSD17B3MIFKDM4E
SCHEMBL4819273 0.78 TP53 (1.00) TP53POLBMIFKDM4EGAA
SCHEMBL19877311 0.77 TP53 (0.63) TP53POLBHSD17B3MIFKDM4E
SCHEMBL19877313 0.77 TP53 (0.63) TP53POLBHSD17B3MIFKDM4E
SCHEMBL4819065 0.77 TP53 (0.70) TP53POLBHSD17B3MIFKDM4E
SCHEMBL4820683 0.77 TP53 (0.78) TP53POLBMIFKDM4EGLA
SCHEMBL4815694 0.77 TP53 (0.74) TP53POLBMIFKDM4EMEN1

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-7411076-B2 such as 2-chloro-N-(7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)benzamide, used for intensifying the effects of cancer therapy based on DNA injury; protein kinase inhibitors; side effect reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-08-12 US disclosed
US-20050054717-A1 Coumarin derivative INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2005-03-10 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-20050054717-A1 Coumarin derivative ERCC2, ERCC4, DDB1 TP53 81/4885POLB 290/4885HSD17B3 1531/4885

“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.