SCHEMBL21662333

SCHEMBL21662333

CC(C)(C)c1ccc(C2CC(=O)C=C(c3ccccc3Br)C2)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PLA2G1B P04054 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CYP19A1 P11511 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.34
BRD4 O60885 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
NR1H3 Q13133 1/20 0.33
CREBBP Q92793 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL21662248 0.88 EDNRB (0.35) L3MBTL1MAP1LC3BTDP1ATM
SCHEMBL21662143 0.84 L3MBTL1 (0.45) L3MBTL1ALDH1A1NPC1RAB9ACYP19A1
SCHEMBL19781085 0.82 MAP1LC3B (0.44) L3MBTL1ALDH1A1NPC1RAB9AMAP1LC3B
SCHEMBL21661972 0.81 L3MBTL1 (0.43) L3MBTL1ALDH1A1NPC1RAB9ACYP19A1
SCHEMBL21662246 0.81 ALDH1A1 (0.39) L3MBTL1ALDH1A1NPC1RAB9AMAP1LC3B
SCHEMBL21662331 0.80 L3MBTL1 (0.39) L3MBTL1ALDH1A1NPC1RAB9AMAP1LC3B
SCHEMBL21662145 0.79 PARP10 (0.38) L3MBTL1ATM
SCHEMBL21661978 0.79 L3MBTL1 (0.33) L3MBTL1MAP1LC3BTDP1
SCHEMBL21662147 0.77 L3MBTL1 (0.36) L3MBTL1ALDH1A1NPC1RAB9AMAP1LC3B
SCHEMBL21662334 0.77 ALDH1A1 (0.40) L3MBTL1ALDH1A1NPC1MAP1LC3BBRD4

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 3034/4885ALDH1A1 666/4885NPC1 3324/4885

“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.