SCHEMBL4964028

SCHEMBL4964028

CCN1CC[C@]2(CCN(CCc3ccc(NC(=O)c4ccc5nc(-c6cccc(-c7cccnc7O)c6O)[nH]c5c4)cc3)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.42
ABCB1 P08183 1/20 0.42
HDAC6 Q9UBN7 5/20 0.40
DGAT1 O75907 4/20 0.39
F2 P00734 2/20 0.39
F10 P00742 2/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
PRSS3 P35030 1/20 0.39
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC2 Q92769 2/20 0.38
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
SYK P43405 1/20 0.36
HPSE Q9Y251 1/20 0.36

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
SCHEMBL1509560 0.90 ABCG2 (0.41) ABCG2ABCB1HDAC6DGAT1HDAC3
SCHEMBL12834518 0.85 ABCB1 (0.39) ABCG2ABCB1SYKHPSEPOLB
SCHEMBL14090392 0.81 HDAC6 (0.40) ABCG2ABCB1HDAC6DGAT1HDAC3
SCHEMBL1509459 0.79 ABCG2 (0.42) ABCG2ABCB1HDAC6HDAC3HDAC1
SCHEMBL12833676 0.79 ABCG2 (0.41) ABCG2ABCB1SYKHPSE
SCHEMBL14531512 0.78 ABCG2 (0.39) ABCG2ABCB1HDAC6HDAC3HDAC1
SCHEMBL12833553 0.78 HDAC6 (0.50) ABCG2ABCB1HDAC6DGAT1HDAC3
SCHEMBL4966403 0.77 ABCG2 (0.46) ABCG2ABCB1HDAC6HPSEMEN1
SCHEMBL12834031 0.77 HDAC6 (0.37) ABCG2ABCB1HDAC6DGAT1F7
SCHEMBL1509481 0.76 ABCB1 (0.39) ABCG2ABCB1HDAC6HDAC3HDAC1

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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US claimed

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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 ABCG2 3134/4885ABCB1 2579/4885HDAC6 541/4885

“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.