SCHEMBL21596952

SCHEMBL21596952

C=CC(=O)Oc1cccc(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
ATM Q13315 1/20 0.43
THRB P10828 3/20 0.43
THRA P10827 1/20 0.43
TYMS P04818 1/20 0.38
CA2 P00918 1/20 0.36
BCHE P06276 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
NAMPT P43490 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL31277975 0.86 THRB (0.38) TDP1ATMTHRBTHRATYMS
SCHEMBL30438185 0.85 TDP1 (0.58) TDP1ATMTHRBTHRATYMS
SCHEMBL34006 0.85 TDP1 (0.58) TDP1ATMTHRBTHRATYMS
SCHEMBL27745677 0.84 CA2 (0.48) TDP1ATMTHRBTHRATYMS
SCHEMBL4230062 0.82 ATM (0.41) TDP1ATMTHRBTHRATYMS
SCHEMBL246229 0.82 TDP1 (0.45) TDP1ATMCA2BCHEKDM4E
SCHEMBL28289039 0.81 ATM (0.40) TDP1ATMTHRBTHRATYMS
SCHEMBL247427 0.80 TDP1 (0.47) TDP1ATMCA2BCHEKDM4E
SCHEMBL30923508 0.80 CA2 (0.41) TDP1ATMTHRBTHRATYMS
SCHEMBL28542859 0.80 THRB (0.45) TDP1ATMTHRBTHRATYMS

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810619-B1 TETRA-NUCLEAR NEUTRAL COPPER (I) COMPLEXES CLARIANT INT LTD (CH) 2023-04-26 EP disclosed
US-20210253611-A1 TETRA-NUCLEAR NEUTRAL COPPER (I) COMPLEXES WITH DIARYLPHOSPHINE LIGANDS CLARIANT INTERNATIONAL LTD (CH) 2021-08-19 US disclosed
US-20210159432-A1 TETRA-NUCLEAR NEUTRAL COPPER (I) COMPLEXES CLARIANT INTERNATIONAL LTD (CH) 2021-05-27 US disclosed
EP-3810620-A1 TETRA-NUCLEAR NEUTRAL COPPER (I) COMPLEXES WITH DIARYLPHOSPHINE LIGANDS Clariant International Ltd (CH) 2021-04-28 EP disclosed
EP-3810619-A1 TETRA-NUCLEAR NEUTRAL COPPER (I) COMPLEXES Clariant International Ltd (CH) 2021-04-28 EP disclosed
WO-2019243581-A1 TETRA-NUCLEAR NEUTRAL COPPER (I) COMPLEXES WITH DIARYLPHOSPHINE LIGANDS CLARIANT PLASTICS & COATINGS LTD (CH) 2019-12-26 WO disclosed
WO-2019243583-A1 TETRA-NUCLEAR NEUTRAL COPPER (I) COMPLEXES CLARIANT PLASTICS & COATINGS LTD (CH) 2019-12-26 WO 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 (2 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-20210253611-A1 TETRA-NUCLEAR NEUTRAL COPPER (I) COMPLEXES WITH DIARYLPHOSPHINE LIGANDS NPSR1, TACR1, HRH3 TDP1 1538/4885ATM 4747/4885THRB 926/4885
US-20210159432-A1 TETRA-NUCLEAR NEUTRAL COPPER (I) COMPLEXES NPY1R, TAAR1, CHRNA1 TDP1 967/4885ATM 1767/4885THRB 238/4885

“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.