SCHEMBL13316596

SCHEMBL13316596

CCOC(=O)/C=C(C)/C=C/C1=C(C)c2ccccc2OC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 3/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 5/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 2/20 0.38
MDM2 Q00987 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
GLA P06280 2/20 0.37
ALOX5 P09917 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
TP53 P04637 3/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL13316585 0.87 ALDH1A1 (0.44) MAPTKMT2AKDM4EMEN1ATM
SCHEMBL3601238 0.84 ALDH1A1 (0.45) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL3601241 0.84 ALDH1A1 (0.45) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL13316597 0.77 PTGS1 (0.56) MAPTKMT2AKDM4EMEN1ATM
SCHEMBL13316576 0.77 PTGS1 (0.56) MAPTKMT2AKDM4EMEN1ATM
SCHEMBL7198502 0.73 RXRA (0.43) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL3609169 0.73 RXRA (0.43) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL3609173 0.73 RXRA (0.43) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL10394710 0.72 KMT2A (0.59) MAPTKMT2AKDM4EMEN1ATM
SCHEMBL10394709 0.72 KMT2A (0.59) MAPTKMT2AKDM4EMEN1ATM

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
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 MAPT 3339/4885KMT2A 4388/4885KDM4E 4711/4885
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA XDH, URB2, ALOX12 MAPT 3339/4885KMT2A 4388/4885KDM4E 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.