SCHEMBL13316626

SCHEMBL13316626

CCOC(=O)/C=C(C)/C=C/C1=CC2(CCCCC2)COc2ccc(OC)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 5/20 0.35
HPGD P15428 4/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B1 P14061 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B2 P37059 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
ALOX5 P09917 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 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
SCHEMBL3601126 0.88 RXRA (0.37) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL13316631 0.87 KDM4E (0.36) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL13316663 0.80 KDM4E (0.37) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL3646383 0.80 MAPT (0.36) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL3646386 0.80 MAPT (0.36) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL14469813 0.79 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL3601092 0.78 KDM4E (0.36) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL3601086 0.78 KDM4E (0.36) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL3601046 0.78 HTR1A (0.34) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL3598817 0.78 HTR1A (0.34) ALDH1A1KDM4EHPGDMAPTLMNA

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 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 ALDH1A1 132/4885KDM4E 4711/4885HPGD 23/4885
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA XDH, URB2, ALOX12 ALDH1A1 132/4885KDM4E 4711/4885HPGD 23/4885

“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.