SCHEMBL3901893

SCHEMBL3901893

CC(=O)c1ccc(OCC=C(C)C)cc1OCC=C(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.58
MAPT P10636 2/20 0.57
HPGD P15428 2/20 0.57
MEN1 O00255 1/20 0.57
NR1I2 O75469 1/20 0.57
LMNA P02545 1/20 0.57
PGR P06401 1/20 0.57
ADRB2 P07550 1/20 0.57
ADRB1 P08588 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CNR1 P21554 1/20 0.57
TBXA2R P21731 1/20 0.57
SLC6A2 P23975 1/20 0.57
AGTR1 P30556 1/20 0.57
ADRA1A P35348 1/20 0.57
OPRD1 P41143 1/20 0.57
OPRK1 P41145 1/20 0.57
BLM P54132 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL9364600 0.91 MEN1 (0.70) ALOX5MAPTHPGDMEN1NR1I2
SCHEMBL3953509 0.91 ALOX5 (0.56) ALOX5MAPTHPGDMEN1NR1I2
SCHEMBL6653306 0.89 MAPT (0.60) ALOX5MAPTHPGDMEN1NR1I2
SCHEMBL11584099 0.89 MEN1 (0.54) ALOX5MAPTHPGDMEN1NR1I2
SCHEMBL10540515 0.86 HPGD (0.55) ALOX5MAPTHPGDMEN1NR1I2
SCHEMBL5519287 0.86 MAOB (0.53) ALOX5MAPTHPGDMEN1NR1I2
SCHEMBL6432997 0.86 MAOB (0.64) HPGDMAOBALDH1A1
SCHEMBL9364602 0.85 MEN1 (0.51) ALOX5MAPTHPGDMEN1NR1I2
SCHEMBL6652397 0.81 ALOX5 (0.53) ALOX5MAPTHPGDMEN1NR1I2
SCHEMBL5384385 0.81 MAOB (0.55) ALOX5MAPTHPGDMEN1NR1I2

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 11 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-B1 SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES RIEMSER ARZNEIMITTEL AG (DE) 2009-03-18 EP 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 ALOX5 570/4885MAPT 2828/4885HPGD 160/4885

“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.