SCHEMBL3607979

SCHEMBL3607979

CC(=C/C(=O)O)/C=C/C1=Cc2ccccc2OC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.57
PTGS2 P35354 7/20 0.57
KDM4E B2RXH2 5/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
MAOB P27338 4/20 0.44
ALOX5 P09917 1/20 0.43
ALDH1A1 P00352 4/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40

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
SCHEMBL3596085 1.00 PTGS1 (0.57) PTGS1PTGS2KDM4EMAPTNPC1
SCHEMBL3596089 1.00 PTGS1 (0.57) PTGS1PTGS2KDM4EMAPTNPC1
SCHEMBL3596696 0.87 PTGS1 (0.44) PTGS1PTGS2KDM4EMAPTNPC1
SCHEMBL3596693 0.87 PTGS1 (0.44) PTGS1PTGS2KDM4EMAPTNPC1
SCHEMBL3608669 0.86 MAOB (0.47) PTGS1PTGS2KDM4EMAPTMAOB
SCHEMBL3608672 0.86 MAOB (0.47) PTGS1PTGS2KDM4EMAPTMAOB
SCHEMBL13316588 0.84 MAOB (0.47) PTGS1PTGS2KDM4EMAPTMAOB
SCHEMBL13316576 0.83 PTGS1 (0.56) PTGS1PTGS2KDM4EMAPTNPC1
SCHEMBL13316597 0.83 PTGS1 (0.56) PTGS1PTGS2KDM4EMAPTNPC1
SCHEMBL29046892 0.79 PTGS1 (0.64) PTGS1PTGS2KDM4EMAPTNPC1

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 9 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-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
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 PTGS1 116/4885PTGS2 252/4885KDM4E 4711/4885
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA XDH, URB2, ALOX12 PTGS1 116/4885PTGS2 252/4885KDM4E 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.