SCHEMBL3600012

SCHEMBL3600012

CCCCCC(/C=C/C1=CC(C)(C)COc2ccc(OC)cc21)=C\C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
HTR1A P08908 2/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP19A1 P11511 1/20 0.33
MTNR1A P48039 1/20 0.32
NPY5R Q15761 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A1 P04798 1/20 0.31

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
SCHEMBL3600014 1.00 SCN9A (0.34) SCN9AHTR1AHTR2BSIGMAR1CYP19A1
SCHEMBL3608207 0.94 MTNR1A (0.35) HTR1AHTR2BSIGMAR1CYP19A1MTNR1A
SCHEMBL3608211 0.94 MTNR1A (0.35) HTR1AHTR2BSIGMAR1CYP19A1MTNR1A
SCHEMBL3607373 0.91 SCN9A (0.33) SCN9AHTR1AHTR2BSIGMAR1MTNR1A
SCHEMBL3607375 0.91 SCN9A (0.33) SCN9AHTR1AHTR2BSIGMAR1MTNR1A
SCHEMBL3606361 0.90 HTR1A (0.35) HTR1AHTR2BSIGMAR1CYP19A1MTNR1A
SCHEMBL29417401 0.90 HTR1A (0.35) HTR1AHTR2BSIGMAR1CYP19A1MTNR1A
SCHEMBL3609514 0.90 HTR1A (0.35) HTR1AHTR2BSIGMAR1CYP19A1MTNR1A
SCHEMBL3606365 0.90 HTR1A (0.35) HTR1AHTR2BSIGMAR1CYP19A1MTNR1A
SCHEMBL2314363 0.88 APP (0.38) SCN9AHTR1AHTR2BSIGMAR1MTNR1A

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 5 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 disclosed
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA BOIZEL ROBERT 2010-06-24 US disclosed
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
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 SCN9A 4035/4885HTR1A 877/4885HTR2B 1590/4885
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA XDH, URB2, ALOX12 SCN9A 4035/4885HTR1A 877/4885HTR2B 1590/4885

“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.