SCHEMBL21662332

SCHEMBL21662332

Cc1c(C)c(C)c(C2CC(=O)C=C(c3ccccc3Br)C2)c(Br)c1C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KIF11 P52732 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL21662244 0.87 ALDH1A1 (0.37) L3MBTL1TDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL21661979 0.80 ALDH1A1 (0.33) L3MBTL1TDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL21662147 0.78 L3MBTL1 (0.36) L3MBTL1TDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL21662335 0.78 ALDH1A1 (0.37) L3MBTL1TDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL19781085 0.77 MAP1LC3B (0.44) L3MBTL1TDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL21662331 0.76 L3MBTL1 (0.39) L3MBTL1TDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL21662249 0.76 L3MBTL1 (0.34) L3MBTL1TDP1
SCHEMBL21662143 0.75 L3MBTL1 (0.45) L3MBTL1TDP1ALDH1A1SMN1; SMN2NPC1
SCHEMBL21661975 0.74 L3MBTL1 (0.42) L3MBTL1TDP1ALDH1A1
SCHEMBL21662152 0.74 L3MBTL1 (0.43) L3MBTL1TDP1ALDH1A1BRD4

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
EP-3601257-B1 AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2021-10-27 EP disclosed
US-20200039903-A1 AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2020-02-06 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-20200039903-A1 AROMATIC COMPOUNDS PAH, ALG3, DDC L3MBTL1 3034/4885TDP1 2113/4885ALDH1A1 666/4885

“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.