SCHEMBL6469498

SCHEMBL6469498

C1CCC2(CC1)OCCO2

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL10530234 1.00 KDM4E (0.33) KDM4EGAAPOLBTDP1HPGD
SCHEMBL13276440 1.00 KDM4E (0.33) KDM4EGAAPOLBTDP1HPGD
SCHEMBL60409 1.00 KDM4E (0.33) KDM4EGAAPOLBTDP1HPGD
SCHEMBL6245109 1.00 KDM4E (0.33) KDM4EGAAPOLBTDP1HPGD
SCHEMBL3225586 0.96
SCHEMBL10796699 0.90 GAA (0.31) GAAPOLBTDP1
SCHEMBL16161480 0.90 GAA (0.31) GAAPOLBTDP1
SCHEMBL2113593 0.90 GAA (0.31) GAAPOLBTDP1
SCHEMBL8909769 0.90 GAA (0.31) GAAPOLBTDP1
SCHEMBL19293544 0.90 GAA (0.31) GAAPOLBTDP1

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-20050192279-A1 Pyridazinones as antagonists of alpha4 integrins JANSSEN PHARAMACEUTICA, N.V. (BE) 2005-09-01 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-20050192279-A1 Pyridazinones as antagonists of alpha4 integrins ITGB4, ITGA4, ITGB5 KDM4E 1762/4885GAA 2720/4885POLB 3547/4885

“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.