SCHEMBL21662341

SCHEMBL21662341

CC(C)(C)c1ccc(C2C(c3ccccc3Br)=CC(=O)CC2c2ccccc2Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.36
TNKS O95271 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.33
HTR2C P28335 5/20 0.32
HTR2B P41595 5/20 0.32
BRD4 O60885 1/20 0.32
HTR2A P28223 3/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 1/20 0.32
KDM1A O60341 1/20 0.31
STING1 Q86WV6 1/20 0.31
DRD2 P14416 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL21662339 0.87 CFTR (0.40) PARP3MAP1LC3BHTR2CHTR2BBRD4
SCHEMBL21662340 0.85 TNKS (0.34) TNKS2TNKSPARP3
SCHEMBL21662201 0.76 BRD4 (0.38) MAP1LC3BHTR2CHTR2BBRD4HTR2A
SCHEMBL21662350 0.71 PDK2 (0.31)
SCHEMBL21662333 0.65 L3MBTL1 (0.38) TNKS2TNKSPARP3MAP1LC3BBRD4
SCHEMBL10069663 0.64 TNKS2 (0.47) TNKS2TNKSPARP3BRD4STING1
SCHEMBL14457823 0.62 TNKS2 (0.36) TNKS2TNKSPARP3HTR2CHTR2B
SCHEMBL370544 0.61 ALDH1A1 (0.58) TNKS2TNKSPARP3MEN1KMT2A
SCHEMBL19781085 0.61 MAP1LC3B (0.44) MAP1LC3BBRD4KDM1AMEN1KMT2A
SCHEMBL28931324 0.61 KDM1A (0.36) TNKS2TNKSPARP3HTR2CHTR2B

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 TNKS2 2469/4885TNKS 2197/4885PARP3 869/4885

“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.