SCHEMBL26054575

SCHEMBL26054575

CC(C)(C)C(=O)c1ccc2oc(=O)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 9/20 0.53
CA12 O43570 8/20 0.53
ALDH1A1 P00352 6/20 0.53
MCL1 Q07820 2/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA3 P07451 2/20 0.49
CA4 P22748 2/20 0.49
CA6 P23280 2/20 0.49
CA5A P35218 2/20 0.49
CA7 P43166 2/20 0.49
CA14 Q9ULX7 2/20 0.49
CA5B Q9Y2D0 2/20 0.49
CYP2A6 P11509 1/20 0.49
PGR P06401 3/20 0.48
KDM4E B2RXH2 3/20 0.48

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
SCHEMBL15842681 0.81 CA9 (0.59) CA9CA12ALDH1A1MCL1MEN1
SCHEMBL1100153 0.80 CA12 (0.59) CA9CA12ALDH1A1MCL1MEN1
SCHEMBL30388813 0.80 CA12 (0.59) CA9CA12ALDH1A1MCL1MEN1
SCHEMBL25693864 0.79 SIRT1 (0.51) CA9CA12ALDH1A1MCL1MEN1
SCHEMBL16722810 0.78 CES2 (0.46) ALDH1A1MEN1KMT2ACYP2A6KDM4E
SCHEMBL23294766 0.78 CA12 (0.58) CA9CA12ALDH1A1MCL1MEN1
Hydrochloric Acid SCHEMBL23294784 0.78 CA12 (0.58) CA9CA12ALDH1A1MCL1MEN1
SCHEMBL19691118 0.78 CA12 (0.58) CA9CA12ALDH1A1MCL1MEN1
SCHEMBL21297072 0.77 HDAC6 (0.38) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL15842575 0.77 CYP2A6 (0.57) CA9CA12ALDH1A1MCL1MEN1

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-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
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 CA9 4717/4885CA12 4607/4885ALDH1A1 3246/4885

“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.