SCHEMBL997845

SCHEMBL997845

COC(=O)N1CC2(CC2)c2c([nH]c3ccccc23)C1c1c(OC)cccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ABCB1 P08183 5/20 0.40
ABCG2 Q9UNQ0 5/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE5A O76074 3/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
EGFR P00533 1/20 0.37

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
SCHEMBL1000867 0.91 MAPT (0.42) MAPTABCB1ABCG2POLBNPSR1
SCHEMBL998363 0.91 KIF11 (0.42) MAPTABCB1ABCG2POLBNPSR1
SCHEMBL997745 0.88 ALDH1A1 (0.49) MAPTABCB1ABCG2NPSR1LMNA
SCHEMBL997599 0.87 ABCG2 (0.55) ABCB1ABCG2PDE5ALMNAALDH1A1
SCHEMBL999004 0.85 ABCG2 (0.45) MAPTABCB1ABCG2NPSR1PDE5A
SCHEMBL1001235 0.85 ABCB1 (0.48) MAPTABCB1ABCG2POLBNPSR1
SCHEMBL999983 0.85 ABCG2 (0.52) MAPTABCB1ABCG2PDE5ALMNA
SCHEMBL997797 0.85 ABCG2 (0.44) MAPTABCB1ABCG2LMNAALDH1A1
SCHEMBL997740 0.84 PAX8 (0.41) MAPTABCB1ABCG2POLBNPSR1
SCHEMBL998525 0.84 ABCG2 (0.56) MAPTABCB1ABCG2POLBNPSR1

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 MAPT 4705/4885ABCB1 307/4885ABCG2 309/4885

“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.