SCHEMBL26054366

SCHEMBL26054366

CC(C)(C)C(=O)c1c(Br)ccc2c1OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.44
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KLK7 P49862 1/20 0.34
NQO2 P16083 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
SRD5A2 P31213 1/20 0.33
PKM P14618 1/20 0.33
PREP P48147 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL27967472 0.82 AOC3 (0.50) AOC3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL423788 0.80 AOC3 (0.49) AOC3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12071539 0.79 AOC3 (0.47) AOC3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL422232 0.79 AOC3 (0.47) AOC3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8470586 0.78 AOC3 (0.44) AOC3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13485804 0.78 AOC3 (0.46) AOC3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13726360 0.71 MAOB (0.41) KDM4EALDH1A1MAPK1
SCHEMBL4487659 0.69 AOC3 (0.42) AOC3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL16981798 0.69 KDM4E (0.38) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL12865263 0.69 AOC3 (0.50) AOC3NPC1RAB9AMAPTSMN1; SMN2

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-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 AOC3 4088/4885NPC1 1793/4885RAB9A 3080/4885

“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.