SCHEMBL3604872

SCHEMBL3604872

CCCCCCCCCc1ccc2c(c1)C=C(C=CC(C)=CC(=O)O)CO2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.52
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
MAOB P27338 4/20 0.39
ATG4B Q9Y4P1 11/20 0.39
PLA2G1B P04054 9/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RECQL P46063 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
SCHEMBL3604867 1.00 ALOX5 (0.52) ALOX5PTGS1PTGS2MAOBATG4B
SCHEMBL3608669 0.77 MAOB (0.47) ALOX5PTGS1PTGS2MAOBTDP1
SCHEMBL3608672 0.77 MAOB (0.47) ALOX5PTGS1PTGS2MAOBTDP1
SCHEMBL3596089 0.76 PTGS1 (0.57) ALOX5PTGS1PTGS2MAOBTDP1
SCHEMBL13316587 0.71 MAOB (0.45) ALOX5PTGS1PTGS2MAOB
SCHEMBL9729787 0.68 ALOX5 (1.00) ALOX5PTGS1PTGS2
SCHEMBL10625566 0.68 KDM4E (0.48) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL7605456 0.66 ALOX5 (0.51) ALOX5PTGS1PTGS2THRATHRB
SCHEMBL3596696 0.65 PTGS1 (0.44) ALOX5PTGS1PTGS2TDP1
SCHEMBL3596693 0.65 PTGS1 (0.44) ALOX5PTGS1PTGS2TDP1

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-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA BOIZEL ROBERT 2010-06-24 US claimed
US-20070099854-A1 Use of pentadienoic acid derivatives for the treatment of hyperuricemia MERCK PATENT GMBH (DE) 2007-05-03 US claimed
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA BOIZEL ROBERT 2010-06-24 US disclosed
US-20070099854-A1 Use of pentadienoic acid derivatives for the treatment of hyperuricemia MERCK PATENT GMBH (DE) 2007-05-03 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 (2 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-20070099854-A1 Use of pentadienoic acid derivatives for the treatment of hyperuricemia XDH, URB2, ALOX12 ALOX5 7/4885PTGS1 116/4885PTGS2 252/4885
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA XDH, URB2, ALOX12 ALOX5 7/4885PTGS1 116/4885PTGS2 252/4885

“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.