SCHEMBL3601994

SCHEMBL3601994

CCOC(=O)C=C(C)C=CC1=CC(C)(C)COc2cc(-c3ccc(F)cc3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.35
HDAC2 Q92769 5/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
HDAC3 O15379 4/20 0.32
ALDH1A1 P00352 2/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31

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
SCHEMBL3601992 1.00 HDAC1 (0.35) HDAC1HDAC2KDM4EMEN1MAPT
SCHEMBL3604577 0.87 RXRA (0.38) HDAC1HDAC2KDM4EMEN1MAPT
SCHEMBL3604572 0.87 RXRA (0.38) HDAC1HDAC2KDM4EMEN1MAPT
SCHEMBL3603051 0.85 KDM4E (0.39) KDM4EMEN1MAPTKMT2AATM
SCHEMBL3646386 0.84 MAPT (0.36) KDM4EMEN1MAPTKMT2AATM
SCHEMBL3646383 0.84 MAPT (0.36) KDM4EMEN1MAPTKMT2AATM
SCHEMBL2316048 0.84 ESR1 (0.42) HDAC1HDAC2HDAC3ESR1ESR2
SCHEMBL2316040 0.84 ESR1 (0.42) HDAC1HDAC2HDAC3ESR1ESR2
SCHEMBL3607030 0.83 KDM4E (0.33) KDM4EMEN1MAPTKMT2AATM
SCHEMBL3607025 0.83 KDM4E (0.33) 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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100160410-A1 USE OF PENTADIENOIC ACID DERIVATIVES FOR THE TREATMENT OF HYPERURICEMIA XDH, URB2, ALOX12 HDAC1 3817/4885HDAC2 4112/4885KDM4E 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.