SCHEMBL4881624

SCHEMBL4881624

Cc1cc(C)cc(-c2ccc(OCC[N+](C)(C)C)c(C=CC(=O)c3ccc(N)cc3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
TNFRSF1A P19438 5/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
KRAS P01116 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
CAPN1 P07384 1/20 0.40
BCHE P06276 1/20 0.39
CYP3A4 P08684 1/20 0.38
DPP4 P27487 3/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL4881621 1.00 PTPN1 (0.44) PTPN1CTSLCTSBTNFRSF1ACA1
SCHEMBL14306898 0.88 DPP4 (0.47) PTPN1CTSLCTSBTNFRSF1ACA1
SCHEMBL4849986 0.85 BCHE (0.46) PTPN1CTSLCTSBTNFRSF1ACA1
SCHEMBL14280884 0.85 BCHE (0.46) PTPN1CTSLCTSBTNFRSF1ACA1
SCHEMBL4886942 0.85 MAPT (0.39) TNFRSF1ACYP3A4RELA
SCHEMBL4886938 0.85 MAPT (0.39) TNFRSF1ACYP3A4RELA
SCHEMBL4884102 0.78 PDE4A (0.46) TNFRSF1AABCG2DPP4
SCHEMBL4884108 0.78 PDE4A (0.46) TNFRSF1AABCG2DPP4
SCHEMBL14280893 0.77 PDE4A (0.45) PTPN1TNFRSF1AABCG2
SCHEMBL4852218 0.77 CAPN1 (0.50) PTPN1CTSLCTSBTNFRSF1ACAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027075-A1 Quaternary Amino-Function Chalcones LICA PHARMACEUTICALS A/S (DK) 2008-01-31 US claimed
EP-1682486-A1 QUATERNARY AMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2006-07-26 EP claimed
WO-2005042467-A1 QUATERNARY AMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2005-05-12 WO claimed
US-20080027075-A1 Quaternary Amino-Function Chalcones LICA PHARMACEUTICALS A/S (DK) 2008-01-31 US disclosed
EP-1682486-A1 QUATERNARY AMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2006-07-26 EP disclosed
WO-2005042467-A1 QUATERNARY AMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2005-05-12 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-20080027075-A1 Quaternary Amino-Function Chalcones NR2E1, BET1, NR0B1 PTPN1 202/4885CTSL 3563/4885CTSB 3185/4885

“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.