SCHEMBL3889837

SCHEMBL3889837

CC(C)(C)c1cc(C(=O)Nc2ccon2)cc(C(C)(C)C)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.54
KDM4E B2RXH2 2/20 0.53
TSHR P16473 3/20 0.52
HPGD P15428 4/20 0.50
RAB9A P51151 4/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 3/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 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
SCHEMBL3890906 0.81 SMN1; SMN2 (0.62) SMN1; SMN2KDM4ETSHRHPGDRAB9A
SCHEMBL3893022 0.76 MEN1 (0.47) SMN1; SMN2RAB9AALDH1A1NPC1KMT2A
SCHEMBL3894083 0.75 NPC1 (0.60) SMN1; SMN2KDM4ERAB9AHTTALDH1A1
SCHEMBL3894403 0.74 SIRT2 (0.48) SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL3904834 0.73 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EHPGDRAB9AALDH1A1
SCHEMBL1233320 0.73 RAB9A (0.65) SMN1; SMN2KDM4ETSHRHPGDRAB9A
SCHEMBL11277786 0.72 SMN1; SMN2 (0.68) SMN1; SMN2KDM4ETSHRHPGDRAB9A
SCHEMBL3895584 0.72 PSMD14 (0.46) SMN1; SMN2RAB9AALDH1A1NPC1LMNA
SCHEMBL3889851 0.72 SMN1; SMN2 (0.64) SMN1; SMN2KDM4ETSHRRAB9AALDH1A1
SCHEMBL3655211 0.72 NQO2 (0.62) SMN1; SMN2TSHRRAB9AALDH1A1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511034-B2 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-03-31 US claimed
US-7229988-B2 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SAMSUNG ELECTRONICS CO., LTD. (KR) 2007-06-12 US claimed
US-20060116377-A1 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses OH EU-GENE 2006-06-01 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-20060116377-A1 Dialkylhydroxybenzoic acid derivatives containing metal chelating groups and their therapeutic uses SOD1, DDO, LPO SMN1; SMN2 1476/4885KDM4E 3297/4885TSHR 3353/4885

“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.