SCHEMBL26054681

SCHEMBL26054681

C#Cc1ccccc1C(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 2/20 0.35
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
RAB9A P51151 1/20 0.33
ALOX15 P16050 1/20 0.33
KAT6A Q92794 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
SCHEMBL200293 0.82 MAPK1 (0.40) ELANEALDH1A1POLBKDM4EMAPK1
SCHEMBL13727061 0.81 POLB (0.50) ALDH1A1POLBKDM4EL3MBTL1NPC1
SCHEMBL15445468 0.79 ELANE (0.47) ELANEALDH1A1KDM4EMAPK1L3MBTL1
SCHEMBL11812944 0.78 FFAR1 (0.44) ALDH1A1POLBKDM4ENPC1MAPT
SCHEMBL7557424 0.77 NPC1 (0.41) ELANEALDH1A1POLBKDM4ENPC1
SCHEMBL4043786 0.77 GAA (0.53) ALDH1A1POLBL3MBTL1
SCHEMBL28832050 0.77 NPC1 (0.33) ALDH1A1NPC1CES2CES1RAB9A
SCHEMBL17607318 0.77 NPC1 (0.40) ELANEALDH1A1NPC1KMT2ALMNA
Benzene SCHEMBL29290216 0.75 ALDH1A1 (0.56) ALDH1A1POLBKDM4ENPC1MAPT
SCHEMBL688471 0.75 ALDH1A1 (0.56) ALDH1A1POLBKDM4ENPC1MAPT

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 ELANE 2834/4885ALDH1A1 3246/4885POLB 423/4885

“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.