SCHEMBL998052

SCHEMBL998052

COc1ccc(C2c3[nH]c4ccccc4c3C3(CC3)CN2C(C)=O)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.56
ABCB1 P08183 8/20 0.56
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALOX12 P18054 1/20 0.48
EGFR P00533 2/20 0.47
KIF11 P52732 1/20 0.47
PDE5A O76074 1/20 0.44
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
PRMT5 O14744 1/20 0.43

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
SCHEMBL997599 0.91 ABCG2 (0.55) ABCG2ABCB1ALDH1A1MEN1KMT2A
SCHEMBL998600 0.88 ABCG2 (0.53) ABCG2ABCB1KIF11PDE5ALMNA
SCHEMBL998777 0.87 ABCG2 (0.57) ABCG2ABCB1ALDH1A1KMT2AKIF11
SCHEMBL998039 0.87 ABCG2 (0.50) ABCG2ABCB1ALDH1A1KIF11LMNA
SCHEMBL998363 0.87 KIF11 (0.42) ABCG2ABCB1ALDH1A1EGFRKIF11
SCHEMBL997625 0.86 MAPT (0.43) ABCG2ABCB1ALDH1A1KIF11LMNA
SCHEMBL998964 0.86 ABCG2 (0.45) ABCG2ABCB1ALDH1A1KIF11
SCHEMBL998636 0.85 ABCB1 (0.49) ABCG2ABCB1ALDH1A1MEN1KMT2A
SCHEMBL997805 0.85 ABCG2 (0.45) ABCG2ABCB1ALDH1A1MEN1KMT2A
SCHEMBL2033551 0.85 KIF11 (0.47) ABCG2ABCB1ALDH1A1KIF11LMNA

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 307/4885ALDH1A1 1422/4885

“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.