SCHEMBL21662151

SCHEMBL21662151

O=C1C=C(c2ccccc2Br)CC(c2cc(-c3ccccc3)ccc2Br)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
EDNRB P24530 3/20 0.37
EDNRA P25101 3/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ATM Q13315 2/20 0.37
APAF1 O14727 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
XBP1 P17861 1/20 0.37
PTBP1 P26599 1/20 0.37
HTT P42858 1/20 0.37
GALK1 P51570 1/20 0.37
BLM P54132 1/20 0.37
SMAD3 P84022 1/20 0.37

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
SCHEMBL21662246 0.90 ALDH1A1 (0.39) ALDH1A1L3MBTL1EDNRBEDNRAMEN1
SCHEMBL21662194 0.90 L3MBTL1 (0.39) ALDH1A1L3MBTL1EDNRBEDNRAATM
SCHEMBL23956032 0.89 ALDH1A1 (0.37) ALDH1A1L3MBTL1EDNRBEDNRAMEN1
SCHEMBL21662334 0.86 ALDH1A1 (0.40) ALDH1A1L3MBTL1MEN1NPC1LMNA
SCHEMBL19781085 0.84 MAP1LC3B (0.44) ALDH1A1L3MBTL1MEN1NPC1LMNA
SCHEMBL21662337 0.84 L3MBTL1 (0.43) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL21661978 0.81 L3MBTL1 (0.33) L3MBTL1EDNRBEDNRATHRBMAP1LC3B
SCHEMBL23956059 0.80 L3MBTL1 (0.39) ALDH1A1L3MBTL1EDNRBEDNRAATM
SCHEMBL21662331 0.80 L3MBTL1 (0.39) ALDH1A1L3MBTL1MEN1NPC1RAB9A
SCHEMBL21662145 0.78 PARP10 (0.38) L3MBTL1EDNRBEDNRAATM

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-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 ALDH1A1 666/4885L3MBTL1 3034/4885EDNRB 400/4885

“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.