SCHEMBL3609514

SCHEMBL3609514

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP19A1 P11511 1/20 0.35
NQO2 P16083 2/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
MAPT P10636 5/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 3/20 0.32
POLB P06746 2/20 0.32

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
SCHEMBL3606365 1.00 HTR1A (0.35) HTR1AHTR2BSIGMAR1CYP19A1NQO2
SCHEMBL29417401 1.00 HTR1A (0.35) HTR1AHTR2BSIGMAR1CYP19A1NQO2
SCHEMBL3606361 1.00 HTR1A (0.35) HTR1AHTR2BSIGMAR1CYP19A1NQO2
SCHEMBL3608207 0.92 MTNR1A (0.35) HTR1AHTR2BSIGMAR1CYP19A1MTNR1A
SCHEMBL3608211 0.92 MTNR1A (0.35) HTR1AHTR2BSIGMAR1CYP19A1MTNR1A
SCHEMBL3600014 0.90 SCN9A (0.34) HTR1AHTR2BSIGMAR1CYP19A1MTNR1A
SCHEMBL3600012 0.90 SCN9A (0.34) HTR1AHTR2BSIGMAR1CYP19A1MTNR1A
SCHEMBL3598821 0.90 HTR1A (0.34) HTR1AHTR2BSIGMAR1CYP19A1NQO2
SCHEMBL3601046 0.90 HTR1A (0.34) HTR1AHTR2BSIGMAR1CYP19A1NQO2
SCHEMBL3598817 0.90 HTR1A (0.34) HTR1AHTR2BSIGMAR1CYP19A1NQO2

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 HTR1A 877/4885HTR2B 1590/4885SIGMAR1 2970/4885
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA XDH, URB2, ALOX12 HTR1A 877/4885HTR2B 1590/4885SIGMAR1 2970/4885

“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.