SCHEMBL3611543

SCHEMBL3611543

COc1cccc2c1C(/C=C/C(C)=C/C(=O)O)=CC(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 4/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
ABCC4 O15439 1/20 0.36
NR1I2 O75469 1/20 0.36
ABCB11 O95342 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RXRA P19793 3/20 0.35
RXRB P28702 3/20 0.35
RXRG P48443 3/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL3611547 1.00 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL3608663 0.86 MEN1 (0.40) ALDH1A1MAPTKDM4EHTTPOLB
SCHEMBL3608657 0.86 MEN1 (0.40) ALDH1A1MAPTKDM4EHTTPOLB
SCHEMBL3600466 0.76 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL3600462 0.76 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL3596044 0.71 RXRA (0.36) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL3596038 0.71 RXRA (0.36) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL3602889 0.67 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL3602897 0.67 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL6859855 0.67 KDM4E (0.42) ALDH1A1MAPTKDM4EPKMHTT

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 6 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
EP-1686983-B1 USE OF PENTADIENOIC ACID DERIVATES FOR TREATEMENT OF HYPERURICEMIA MERCK PATENT GMBH (DE) 2007-07-11 EP 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 132/4885MAPT 3339/4885KDM4E 4711/4885
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA XDH, URB2, ALOX12 ALDH1A1 132/4885MAPT 3339/4885KDM4E 4711/4885

“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.