SCHEMBL3607025

SCHEMBL3607025

CCOC(=O)/C=C(C)/C=C/C1=CC(C)(C)COc2ccc(-c3ccc(C(F)(F)F)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
MLYCD O95822 1/20 0.33
HSP90AA1 P07900 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
P2RY14 Q15391 1/20 0.32
BACE1 P56817 1/20 0.31
CTSA P10619 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
POLB P06746 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
SCHEMBL3607030 1.00 KDM4E (0.33) KDM4EMEN1MAPTKMT2AATM
SCHEMBL3603051 0.90 KDM4E (0.39) KDM4EMEN1MAPTKMT2AATM
SCHEMBL3596153 0.88 RXRA (0.39) KDM4EMEN1MAPTKMT2AP2RY14
SCHEMBL3596156 0.88 RXRA (0.39) KDM4EMEN1MAPTKMT2AP2RY14
SCHEMBL3606430 0.84 KDM4E (0.34) KDM4EMEN1MAPTKMT2AATM
SCHEMBL3606435 0.84 KDM4E (0.34) KDM4EMEN1MAPTKMT2AATM
SCHEMBL3601066 0.84 MAPT (0.37) KDM4EMEN1MAPTKMT2AATM
SCHEMBL3601062 0.84 MAPT (0.37) KDM4EMEN1MAPTKMT2AATM
SCHEMBL3601992 0.83 HDAC1 (0.35) KDM4EMEN1MAPTKMT2AATM
SCHEMBL3601994 0.83 HDAC1 (0.35) KDM4EMEN1MAPTKMT2AATM

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 3 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-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.