SCHEMBL21662334

SCHEMBL21662334

O=C1C=C(c2ccccc2Br)CC(c2cc(-c3ccccc3)c(-c3ccccc3)cc2Br)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
BRD4 O60885 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 6/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33
NPC1 O15118 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CREBBP Q92793 1/20 0.31
MAP1LC3B Q9GZQ8 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
SCHEMBL21662246 0.86 ALDH1A1 (0.39) ALDH1A1MAPK1BRD4LMNAL3MBTL1
SCHEMBL21662151 0.86 ALDH1A1 (0.39) ALDH1A1MAPK1BRD4LMNAL3MBTL1
SCHEMBL21662331 0.83 L3MBTL1 (0.39) ALDH1A1MAPK1BRD4L3MBTL1ATM
SCHEMBL19781085 0.82 MAP1LC3B (0.44) ALDH1A1MAPK1BRD4LMNAL3MBTL1
SCHEMBL21661972 0.80 L3MBTL1 (0.43) ALDH1A1BRD4L3MBTL1ATMTDP1
SCHEMBL21662143 0.80 L3MBTL1 (0.45) ALDH1A1BRD4L3MBTL1ATMTDP1
SCHEMBL21662337 0.80 L3MBTL1 (0.43) ALDH1A1BRD4L3MBTL1ATMTDP1
SCHEMBL21662194 0.79 L3MBTL1 (0.39) ALDH1A1L3MBTL1ATMTDP1
SCHEMBL21662245 0.78 L3MBTL1 (0.35) ALDH1A1MAPK1BRD4L3MBTL1TDP1
SCHEMBL21662330 0.77 MAP1LC3B (0.35) ALDH1A1MAPK1BRD4LMNAL3MBTL1

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 ALDH1A1 666/4885MAPK1 4452/4885BRD4 337/4885

“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.