SCHEMBL4849052

SCHEMBL4849052

CC(C)(C)c1ccccc1C(=O)c1cccc(C(=O)O)c1N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.47
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MYC P01106 1/20 0.40
CDC25B P30305 1/20 0.40
MMP2 P08253 1/20 0.40
LMNA P02545 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
AKR1C3 P42330 1/20 0.38
PRNP P04156 1/20 0.37
POLB P06746 1/20 0.37
CA2 P00918 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL9207376 0.84 G6PD (0.55) G6PDCASP7CASP6KMT2AALOX15
SCHEMBL28229430 0.84 ALDH1A1 (0.54) CYP3A4CYP2C9KMT2AALOX15ALDH1A1
SCHEMBL4865222 0.84 UCHL1 (0.50) G6PDCASP7CASP6KMT2AALDH1A1
SCHEMBL1148444 0.82 ALDH1A1 (0.50) ALOX15ALDH1A1LMNAPOLBCA2
SCHEMBL4849042 0.81 MMP2 (0.45) G6PDCASP7CASP6CYP3A4CYP2C9
SCHEMBL4251057 0.81 MYC (0.47) G6PDCASP7CASP6KMT2AALOX15
SCHEMBL30663932 0.80 ALDH1A1 (0.48) CYP3A4CYP2C9KMT2AALOX15ALDH1A1
SCHEMBL39249 0.80 ALDH1A1 (0.56) ALOX15ALDH1A1CDC25BLMNATAS2R14
SCHEMBL31028133 0.80 ALDH1A1 (0.56) ALOX15ALDH1A1CDC25BLMNATAS2R14
SCHEMBL4737094 0.79 ALDH1A1 (0.54) ALOX15ALDH1A1CDC25BLMNATAS2R14

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-7342039-B2 Substituted indole oximes WYETH (US) 2008-03-11 US disclosed
US-20050119326-A1 Substituted aryloximes WYETH (US) 2005-06-02 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-20050119326-A1 Substituted aryloximes IDO2, TDO2, IDO1 G6PD 1104/4885CASP7 2514/4885CASP6 1999/4885

“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.