SCHEMBL4121887

SCHEMBL4121887

CC(C)=CCc1cc(CC=C(C)C)c2occ(C=O)c(=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.45
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOA P21397 3/20 0.35
MAOB P27338 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 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
SCHEMBL4122697 0.80 SOAT1 (0.39) PTPN1
SCHEMBL4112090 0.80 PTPN1 (0.64) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL3913372 0.78 PTPN1 (0.55) PTPN1POLBMAOAMAOB
SCHEMBL5373635 0.67 PTPN1 (0.54) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL29956932 0.66 PTPN1 (0.68) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL9958482 0.65 HTT (0.41) PTPN1MEN1KMT2A
SCHEMBL1997471 0.64 PTPN1 (0.61) PTPN1POLBMAOAMAOB
SCHEMBL5166422 0.64 AKR1B10 (0.51) PTPN1MEN1KMT2AMAOA
SCHEMBL5165720 0.63 AKR1B10 (0.54) PTPN1MEN1KMT2AMAOA
SCHEMBL23887130 0.62 PTPN1 (0.72) PTPN1MEN1POLBKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090234023-A1 SUBSTITUTED HYDROXYACETOPHENONE DERIVATIVES RIEMSER ARZNEIMITTEL AG (DE) 2009-09-17 US claimed
EP-1768945-A1 SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES Riemser Arzneimittel AG (DE) 2007-04-04 EP claimed
WO-2006003010-A1 SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES RIEMSER ARZNEIMITTEL AG (DE) 2006-01-12 WO claimed
US-20090234023-A1 SUBSTITUTED HYDROXYACETOPHENONE DERIVATIVES RIEMSER ARZNEIMITTEL AG (DE) 2009-09-17 US disclosed
US-20090234023-A1 SUBSTITUTED HYDROXYACETOPHENONE DERIVATIVES RIEMSER ARZNEIMITTEL AG (DE) 2009-09-17 US disclosed
US-20090234023-A1 SUBSTITUTED HYDROXYACETOPHENONE DERIVATIVES RIEMSER ARZNEIMITTEL AG (DE) 2009-09-17 US disclosed
EP-1768945-B1 SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES RIEMSER ARZNEIMITTEL AG (DE) 2009-03-18 EP disclosed
EP-1768945-A1 SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES Riemser Arzneimittel AG (DE) 2007-04-04 EP disclosed
WO-2006003010-A1 SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES RIEMSER ARZNEIMITTEL AG (DE) 2006-01-12 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-20090234023-A1 SUBSTITUTED HYDROXYACETOPHENONE DERIVATIVES GNPAT, HOGA1, NQO1 PTPN1 2770/4885MEN1 3741/4885POLB 407/4885

“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.