SCHEMBL998525

SCHEMBL998525

COC(=O)N1CC2(CC2)c2c([nH]c3ccccc23)C1c1cccc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.56
ABCB1 P08183 7/20 0.56
HTR7 P34969 1/20 0.46
KIF11 P52732 2/20 0.46
TP53 P04637 3/20 0.45
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL997746 0.94 ABCG2 (0.49) ABCG2ABCB1HTR7KIF11TP53
SCHEMBL999983 0.91 ABCG2 (0.52) ABCG2ABCB1TP53LMNAMAPT
SCHEMBL998777 0.91 ABCG2 (0.57) ABCG2ABCB1HTR7KIF11TP53
SCHEMBL999146 0.88 KIF11 (0.43) ABCG2ABCB1KIF11TP53LMNA
SCHEMBL999004 0.88 ABCG2 (0.45) ABCG2ABCB1KMT2AKDM4ELMNA
SCHEMBL997599 0.87 ABCG2 (0.55) ABCG2ABCB1TP53KMT2ALMNA
SCHEMBL997797 0.87 ABCG2 (0.44) ABCG2ABCB1KDM4ELMNAALDH1A1
SCHEMBL997758 0.86 ABCG2 (0.41) ABCG2ABCB1KIF11TP53LMNA
SCHEMBL998229 0.86 ABCG2 (0.50) ABCG2ABCB1HTR7KIF11TP53
SCHEMBL999901 0.85 ABCG2 (0.52) ABCG2ABCB1KIF11TP53KDM4E

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 307/4885HTR7 2598/4885

“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.