SCHEMBL7130504

SCHEMBL7130504

Cc1ccc(C(C)(C)C)c(NC2=C(O)CC(c3ccccc3)(c3ccccc3)OC2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 7/20 0.38
LDHB P07195 7/20 0.38
CXCR2 P25025 2/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
MCL1 Q07820 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
IDO1 P14902 1/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APAF1 O14727 1/20 0.31

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
SCHEMBL7441906 0.83 LDHA (0.38) LDHALDHBCXCR2MAPT
SCHEMBL7074874 0.82 KDM4E (0.35) LDHACXCR2PTGS1PTGS2MAPT
SCHEMBL7078058 0.74 LDHA (0.41) LDHALDHBMAPTL3MBTL1KMT2A
SCHEMBL7079286 0.69 GAA (0.37) LDHAPTGS1PTGS2MAPTALDH1A1
SCHEMBL5025932 0.69 TSHR (0.48) CXCR2MAPTALDH1A1L3MBTL1MEN1
SCHEMBL6603977 0.65 LDHA (0.40) LDHALDHBALDH1A1MEN1KMT2A
SCHEMBL2165676 0.65 GAA (0.42) CXCR2MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL6606768 0.65 LDHA (0.58) LDHALDHBALDH1A1
SCHEMBL6605852 0.65 LDHA (0.41) LDHALDHBALDH1A1KMT2AKDM4E
SCHEMBL9048781 0.64 LDHA (0.38) LDHALDHBALDH1A1KMT2AKDM4E

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-20030171425-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2003-09-11 US claimed
US-6512006-B1 Novel 3-position Nitrogen substituted 6,6- disubstituted-5, 6-dihydropyrones and related compounds possess antiviral properties WARNER-LAMBERT COMPANY 2003-01-28 US claimed

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-20030171425-A1 HIV protease inhibitors DNPEP, PRSS1, PREP LDHA 2167/4885LDHB 1995/4885CXCR2 4117/4885

“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.