SCHEMBL6154800

SCHEMBL6154800

CC(C)(C)c1ccc(COc2c[c]ccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.54
NR4A2 P43354 2/20 0.51
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
MAOB P27338 2/20 0.42
RAB9A P51151 3/20 0.40
NPC1 O15118 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPRB P23467 1/20 0.38
PTPN6 P29350 1/20 0.38

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
SCHEMBL2901614 0.84 MAOB (0.54) MAOBPTPN2PTPN1PTPRBPTPN6
SCHEMBL920275 0.82 MAOB (0.54) APPMAOBRAB9ANPC1SMN1; SMN2
SCHEMBL921127 0.81 APP (0.53) APPMAOBRAB9ANPC1SMN1; SMN2
SCHEMBL7253266 0.80 APP (0.65) APPNR4A2NR4A1NR4A3RXRA
SCHEMBL95949 0.80 MAOB (0.50) APPNR4A2NR4A1NR4A3MAOB
SCHEMBL12264541 0.80 APP (0.69) APPNR4A2NR4A1NR4A3RXRA
SCHEMBL921156 0.79 MAOB (0.50) APPNR4A2MAOBMEN1KMT2A
SCHEMBL7971499 0.79 MAOB (0.57) APPRXRARXRBMAOB
SCHEMBL920100 0.79 MAOB (0.53) APPNR4A2MAOB
SCHEMBL22275947 0.77 APP (0.82) APPNR4A2NR4A1NR4A3RXRA

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
US-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP APP 4880/4885NR4A2 3780/4885NR4A1 4643/4885

“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.