SCHEMBL3913372

SCHEMBL3913372

CC(C)=CCc1ccc2occ(C=O)c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.55
PTPN2 P17706 2/20 0.51
MAOA P21397 4/20 0.49
MAOB P27338 4/20 0.49
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
BCHE P06276 1/20 0.39
ALOX5 P09917 1/20 0.39
ALOX15 P16050 1/20 0.39
ACHE P22303 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
SCHEMBL1997471 0.82 PTPN1 (0.61) PTPN1PTPN2MAOAMAOBALDH1A1
SCHEMBL11880562 0.80 PTPN1 (0.58) PTPN1PTPN2MAOAMAOBALDH1A1
SCHEMBL28164923 0.79 ALDH1A1 (0.49) PTPN1PTPN2ALDH1A1CYP3A4POLB
SCHEMBL31238271 0.79 ALDH1A1 (0.49) PTPN1PTPN2ALDH1A1CYP3A4POLB
SCHEMBL4121887 0.78 PTPN1 (0.45) PTPN1MAOAMAOBPOLB
SCHEMBL11878491 0.77 PTPN1 (0.56) PTPN1PTPN2MAOAMAOBALDH1A1
SCHEMBL23707495 0.74 PTPN1 (0.67) PTPN1PTPN2MAOAMAOBALDH1A1
SCHEMBL911098 0.74 ALDH1A1 (0.68) PTPN1PTPN2MAOAMAOBALDH1A1
SCHEMBL29952420 0.74 ALDH1A1 (0.68) PTPN1PTPN2MAOAMAOBALDH1A1
SCHEMBL29954451 0.72 LMNA (0.60) PTPN1PTPN2MAOAMAOBALDH1A1

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 10 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-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 2770/4885PTPN2 2327/4885MAOA 514/4885

“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.