SCHEMBL3606430

SCHEMBL3606430

CCOC(=O)/C=C(C)/C=C/C1=CC(C)(C)COc2ccc(OC(F)(F)F)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
TGM2 P21980 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BACE1 P56817 1/20 0.31
MAOB P27338 1/20 0.31
ESR1 P03372 1/20 0.30
ALOX5 P09917 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL3606435 1.00 KDM4E (0.34) KDM4EMEN1MAPTKMT2AATM
SCHEMBL13316631 0.89 KDM4E (0.36) KDM4EMEN1MAPTKMT2AATM
SCHEMBL13316663 0.89 KDM4E (0.37) KDM4EMEN1MAPTKMT2AATM
SCHEMBL3602737 0.88 RXRA (0.39) KDM4EMAPTTGM2POLBALDH1A1
SCHEMBL3602741 0.88 RXRA (0.39) KDM4EMAPTTGM2POLBALDH1A1
SCHEMBL3597750 0.86 KDM4E (0.37) KDM4EMEN1MAPTKMT2AATM
SCHEMBL3597753 0.86 KDM4E (0.37) KDM4EMEN1MAPTKMT2AATM
SCHEMBL3601062 0.85 MAPT (0.37) KDM4EMEN1MAPTKMT2AATM
SCHEMBL3601066 0.85 MAPT (0.37) KDM4EMEN1MAPTKMT2AATM
SCHEMBL2314163 0.85 TGM2 (0.39) TGM2POLBALDH1A1GAAHPGD

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
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 KDM4E 4711/4885MEN1 3894/4885MAPT 3339/4885
US-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA XDH, URB2, ALOX12 KDM4E 4711/4885MEN1 3894/4885MAPT 3339/4885

“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.