SCHEMBL3601092

SCHEMBL3601092

CCOC(=O)C=C(C)C=CC1=C(C)C(C)(C)COc2ccc(OC)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
RXRA P19793 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR2B P41595 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
HTR1A P08908 1/20 0.34
GAA P10253 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 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
SCHEMBL3601086 1.00 KDM4E (0.36) KDM4EMAPTMEN1KMT2AATM
SCHEMBL3605578 0.88 RXRA (0.45) KDM4EMAPTRARARARBRARG
SCHEMBL3605580 0.88 RXRA (0.45) KDM4EMAPTRARARARBRARG
SCHEMBL13316631 0.83 KDM4E (0.36) KDM4EMAPTMEN1KMT2AATM
SCHEMBL13316626 0.78 ALDH1A1 (0.35) KDM4EMAPTMEN1KMT2AATM
SCHEMBL3646383 0.77 MAPT (0.36) KDM4EMAPTMEN1KMT2AATM
SCHEMBL3646386 0.77 MAPT (0.36) KDM4EMAPTMEN1KMT2AATM
SCHEMBL13316663 0.76 KDM4E (0.37) KDM4EMAPTMEN1KMT2AATM
SCHEMBL3601046 0.73 HTR1A (0.34) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL3598817 0.73 HTR1A (0.34) KDM4EMAPTALDH1A1HPGDSMN1; SMN2

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 KDM4E 4711/4885MAPT 3339/4885MEN1 3894/4885

“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.