SCHEMBL4852271

SCHEMBL4852271

COc1ccc(C(=O)C=Cc2cc(-c3cc(C)cc(C)c3)ccc2OCCN(C)C)c(CN(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
TNFRSF1A P19438 1/20 0.42
MAPT P10636 4/20 0.42
APP P05067 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
PTPN1 P18031 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL14280890 1.00 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DTNFRSF1A
SCHEMBL4854576 0.92 MAPT (0.41) PDE4APDE4BPDE4CPDE4DTNFRSF1A
SCHEMBL4852265 0.92 MAPT (0.41) PDE4APDE4BPDE4CPDE4DTNFRSF1A
SCHEMBL14280885 0.89 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DTNFRSF1A
SCHEMBL4846635 0.89 LMNA (0.48) PDE4APDE4BPDE4CPDE4DTNFRSF1A
SCHEMBL4848333 0.89 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DTNFRSF1A
SCHEMBL4852988 0.88 HRH1 (0.41) ALDH1A1PTPN1GAASMN1; SMN2KDM4E
SCHEMBL6386830 0.86 ABCG2 (0.52) TNFRSF1AMAPTALDH1A1ABCG2PTPN1
SCHEMBL3683594 0.85 MAPT (0.40) PDE4APDE4BPDE4CPDE4DTNFRSF1A
SCHEMBL4847433 0.85 TNFRSF1A (0.46) TNFRSF1AALDH1A1ABCG2PTPN1MEN1

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
US-20050227990-A1 Aminoalkoxy-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2005-10-13 US claimed
US-7423181-B2 in particular against bacterial and parasitic infections, fungi, and helminths; improved metabolic and physiochemical properties, bioavailability, solubility; 3-[4-(2-Dimethylamino-ethoxy)-2'-trifluoromethyl-biphenyl-3-yl]-1-(2-dimethylaminomethyl-phenyl)-propenone LICA PHARMACEUTICALS A/S (DK) 2008-09-09 US disclosed
US-20080027075-A1 Quaternary Amino-Function Chalcones LICA PHARMACEUTICALS A/S (DK) 2008-01-31 US disclosed
US-20050227990-A1 Aminoalkoxy-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2005-10-13 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 PDE4A 4626/4885PDE4B 4380/4885PDE4C 4392/4885

“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.