SCHEMBL10146065

SCHEMBL10146065

CC(C)(C)c1cc(-c2coc(C(C)(C)C)n2)no1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RET P07949 2/20 0.36
EGFR P00533 1/20 0.36
BRD4 O60885 1/20 0.36
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDR P35968 1/20 0.31
MAPK14 Q16539 2/20 0.31
HPGD P15428 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL13618544 0.89 MEN1 (0.45) MEN1KMT2ARETEGFRBRD4
SCHEMBL10177216 0.79 MEN1 (0.45) MEN1KMT2ARETEGFRBRD4
SCHEMBL10147480 0.76 MEN1 (0.37) MEN1KMT2ABRD4HTTALDH1A1
SCHEMBL350606 0.76 CNR2 (0.49) MEN1KMT2ABRD4NPC1RAB9A
SCHEMBL10147809 0.74 CNR2 (0.43) MEN1KMT2ABRD4NPC1RAB9A
SCHEMBL22878841 0.70 EGFR (0.35) MEN1KMT2AEGFR
SCHEMBL10146103 0.69 BRD4 (0.55) MEN1KMT2ARETEGFRBRD4
SCHEMBL20286120 0.66 ENPP3 (0.45) MEN1KMT2ARAB9ATSHR
SCHEMBL799923 0.66 MEN1 (1.00) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL15828739 0.66 KDM4E (0.57) MEN1KMT2ANPC1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 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-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor CNR2, CNR1, TRPV1 MEN1 4875/4885KMT2A 3160/4885RET 1780/4885

“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.