SCHEMBL14280884

SCHEMBL14280884

Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(/C=C/C(=O)c3ccc(N)cc3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.46
ACHE P22303 5/20 0.46
PTPN1 P18031 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
TNFRSF1A P19438 3/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43
KRAS P01116 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
CAPN1 P07384 1/20 0.40

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
SCHEMBL4849986 1.00 BCHE (0.46) BCHEACHEPTPN1CTSLCTSB
SCHEMBL4852218 0.92 CAPN1 (0.50) BCHEACHEPTPN1CTSLCTSB
SCHEMBL4849921 0.91 BCHE (0.45) BCHEACHEPTPN1TNFRSF1ACA1
SCHEMBL4856242 0.91 BCHE (0.45) BCHEACHECTSLCTSBTNFRSF1A
SCHEMBL4853736 0.91 BCHE (0.52) BCHEACHETNFRSF1A
SCHEMBL6386830 0.90 ABCG2 (0.52) BCHEACHEPTPN1TNFRSF1AABCG2
SCHEMBL14306898 0.88 DPP4 (0.47) BCHEPTPN1CTSLCTSBTNFRSF1A
SCHEMBL4847749 0.87 ACHE (0.42) BCHEACHETNFRSF1A
SCHEMBL4881624 0.85 PTPN1 (0.44) BCHEPTPN1CTSLCTSBTNFRSF1A
SCHEMBL4881621 0.85 PTPN1 (0.44) BCHEPTPN1CTSLCTSBTNFRSF1A

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
US-20080027075-A1 Quaternary Amino-Function Chalcones LICA PHARMACEUTICALS A/S (DK) 2008-01-31 US disclosed
US-20080027075-A1 Quaternary Amino-Function Chalcones LICA PHARMACEUTICALS A/S (DK) 2008-01-31 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-20080027075-A1 Quaternary Amino-Function Chalcones NR2E1, BET1, NR0B1 BCHE 3286/4885ACHE 4322/4885PTPN1 202/4885

“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.