SCHEMBL21662335

SCHEMBL21662335

O=C1C=C(c2ccccc2Br)CC(c2c(Br)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 3/20 0.37
LMNA P02545 1/20 0.34
KIF11 P52732 1/20 0.33
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.31
ATM Q13315 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
BACE1 P56817 2/20 0.30

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 0.85 ALDH1A1 (0.37) ALDH1A1MAPK1LMNAKIF11CFTR
SCHEMBL21661979 0.79 ALDH1A1 (0.33) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL21662332 0.78 L3MBTL1 (0.36) ALDH1A1MAPK1KIF11SMN1; SMN2MEN1
SCHEMBL21662334 0.77 ALDH1A1 (0.40) ALDH1A1MAPK1LMNACFTRGOPC
SCHEMBL19781085 0.76 MAP1LC3B (0.44) ALDH1A1MAPK1LMNASMN1; SMN2MEN1
SCHEMBL21662246 0.76 ALDH1A1 (0.39) ALDH1A1MAPK1LMNASMN1; SMN2MEN1
SCHEMBL21662151 0.76 ALDH1A1 (0.39) ALDH1A1MAPK1LMNACFTRGOPC
SCHEMBL21661975 0.73 L3MBTL1 (0.42) ALDH1A1L3MBTL1ATMTDP1
SCHEMBL21662330 0.72 MAP1LC3B (0.35) ALDH1A1MAPK1LMNASMN1; SMN2MEN1
SCHEMBL21662147 0.72 L3MBTL1 (0.36) ALDH1A1MAPK1LMNASMN1; SMN2MEN1

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 4452/4885LMNA 3645/4885

“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.