SCHEMBL3607145

SCHEMBL3607145

CC(/C=C/C1=C(c2ccccc2)c2ccccc2OC1)=C\C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
RXRA P19793 8/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL3607151 1.00 ESR1 (0.41) ESR1ESR2ALDH1A1MAPTKDM4E
SCHEMBL7224651 0.87 ESR1 (0.51) ESR1ESR2ALDH1A1MAPTKDM4E
SCHEMBL13316585 0.86 ALDH1A1 (0.44) ESR1ESR2ALDH1A1MAPTKDM4E
SCHEMBL3601238 0.85 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL3601241 0.85 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL7232088 0.76 PAM (0.43) ESR1ESR2ALDH1A1KDM4ETDP1
SCHEMBL7198502 0.76 RXRA (0.43) ESR1ESR2ALDH1A1MAPTKDM4E
SCHEMBL3609169 0.76 RXRA (0.43) ESR1ESR2ALDH1A1MAPTKDM4E
SCHEMBL3609173 0.76 RXRA (0.43) ESR1ESR2ALDH1A1MAPTKDM4E
SCHEMBL7033347 0.74 MAOB (0.43) ESR1ESR2ALDH1A1MAPTKDM4E

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 ESR1 3902/4885ESR2 2004/4885ALDH1A1 132/4885
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA XDH, URB2, ALOX12 ESR1 3902/4885ESR2 2004/4885ALDH1A1 132/4885

“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.