SCHEMBL21662340

SCHEMBL21662340

Cc1c(C)c(C)c(C2CC(=O)C=C(c3ccccc3Br)C2c2ccc(C(C)(C)C)cc2)c(Br)c1C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34

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
SCHEMBL21662341 0.85 TNKS2 (0.36) TNKSTNKS2PARP3
SCHEMBL21662168 0.73 PDK2 (0.31)
SCHEMBL21662339 0.71 CFTR (0.40) PARP3
SCHEMBL21662332 0.68 L3MBTL1 (0.36)
SCHEMBL21661983 0.64 ACHE (0.31)
SCHEMBL21662201 0.63 BRD4 (0.38)
SCHEMBL21662333 0.60 L3MBTL1 (0.38) TNKSTNKS2PARP3
SCHEMBL14457823 0.59 TNKS2 (0.36) TNKSTNKS2PARP3
SCHEMBL370544 0.59 ALDH1A1 (0.58) TNKSTNKS2PARP3
SCHEMBL10069663 0.56 TNKS2 (0.47) TNKSTNKS2PARP3

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 TNKS 2197/4885TNKS2 2469/4885PARP3 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.