SCHEMBL998039

SCHEMBL998039

COc1cc(OC)cc(C2c3[nH]c4ccccc4c3C3(CC3)CN2C(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 10/20 0.50
ABCB1 P08183 8/20 0.50
KIF11 P52732 2/20 0.48
TP53 P04637 3/20 0.42
LMNA P02545 3/20 0.41
HTR7 P34969 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL998777 0.94 ABCG2 (0.57) ABCG2ABCB1KIF11TP53LMNA
SCHEMBL997746 0.91 ABCG2 (0.49) ABCG2ABCB1KIF11TP53LMNA
SCHEMBL998600 0.91 ABCG2 (0.53) ABCG2ABCB1KIF11TP53LMNA
SCHEMBL998052 0.87 ABCG2 (0.56) ABCG2ABCB1KIF11TP53LMNA
SCHEMBL997890 0.86 KIF11 (0.49) ABCG2ABCB1KIF11TP53LMNA
SCHEMBL997805 0.85 ABCG2 (0.45) ABCG2ABCB1KIF11KDM4EALDH1A1
SCHEMBL998525 0.85 ABCG2 (0.56) ABCG2ABCB1KIF11TP53LMNA
SCHEMBL1000385 0.85 TP53 (0.45) ABCG2ABCB1KIF11TP53LMNA
SCHEMBL998964 0.85 ABCG2 (0.45) ABCG2ABCB1KIF11KDM4EALDH1A1
SCHEMBL999416 0.84 KIF11 (0.52) ABCG2ABCB1KIF11TP53LMNA

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-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS ABCG2 309/4885ABCB1 307/4885KIF11 4760/4885

“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.