SCHEMBL21605321

SCHEMBL21605321

CC(CP(c1ccccc1)c1ccccc1)C(=O)OCCOC(=O)C(C)CP(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.38
CHRM3 P20309 5/20 0.38
CHRM2 P08172 4/20 0.38
CHRM4 P08173 4/20 0.38
TDP1 Q9NUW8 1/20 0.37
APAF1 O14727 1/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL21606317 0.94 TSHR (0.46) CHRM1CHRM3CHRM2CHRM4LMNA
SCHEMBL21606316 0.89 TSHR (0.47) TDP1LMNATSHRALDH1A1CYP3A4
SCHEMBL21605318 0.88 PIN1 (0.46) TDP1LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL21606286 0.87 TSHR (0.50) LMNATSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL21606341 0.84 GAA (0.40) TDP1CYP2D6ALDH1A1
SCHEMBL21605322 0.84 HIF1A (0.33) CHRM1CHRM3CHRM2TDP1APAF1
SCHEMBL21606343 0.82 AAK1 (0.40) TDP1APAF1ALDH1A1
SCHEMBL21606279 0.82 APAF1 (0.44) APAF1CYP1A2CYP2D6TSHRALDH1A1
SCHEMBL21605326 0.76 CYP19A1 (0.46) CHRM1CHRM3CHRM2CHRM4LMNA
SCHEMBL9408891 0.72 GAA (0.53) LMNACYP1A2CYP2D6TSHRCYP3A4

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 4 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-20210159432-A1 TETRA-NUCLEAR NEUTRAL COPPER (I) COMPLEXES CLARIANT INTERNATIONAL LTD (CH) 2021-05-27 US disclosed
WO-2019243580-A1 PHENYLPHOSPHINO COMPOUNDS AS PROCESS STABILIZERS 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 (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-20210159432-A1 TETRA-NUCLEAR NEUTRAL COPPER (I) COMPLEXES NPY1R, TAAR1, CHRNA1 CHRM1 5/4885CHRM3 78/4885CHRM2 56/4885

“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.