SCHEMBL998636

SCHEMBL998636

COc1ccc(C2c3[nH]c4ccccc4c3C3(CC3)CN2C(=O)Nc2cc(C)cc(C)c2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.49
ABCG2 Q9UNQ0 3/20 0.49
MAPT P10636 5/20 0.45
TP53 P04637 5/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
EGFR P00533 1/20 0.42
LMNA P02545 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
PAX8 Q06710 2/20 0.40
HTT P42858 1/20 0.40
THRB P10828 1/20 0.40
PDE5A O76074 1/20 0.39
POLB P06746 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL997842 0.91 TP53 (0.53) ABCB1ABCG2MAPTTP53LMNA
SCHEMBL997740 0.90 PAX8 (0.41) ABCB1ABCG2MAPTTP53LMNA
SCHEMBL1000385 0.89 TP53 (0.45) ABCB1ABCG2MAPTTP53LMNA
SCHEMBL998229 0.89 ABCG2 (0.50) ABCB1ABCG2MAPTTP53KMT2A
SCHEMBL998300 0.89 MAPT (0.43) ABCB1ABCG2MAPTTP53ALDH1A1
SCHEMBL999048 0.88 PAX8 (0.45) ABCB1ABCG2MAPTTP53LMNA
SCHEMBL998711 0.87 TP53 (0.48) ABCB1ABCG2MAPTTP53MEN1
SCHEMBL999200 0.87 PAX8 (0.45) ABCB1ABCG2MAPTTP53LMNA
SCHEMBL998141 0.87 ALDH1A1 (0.44) MAPTTP53ALDH1A1LMNAPAX8
SCHEMBL997308 0.86 ABCG2 (0.47) ABCB1ABCG2MAPTTP53LMNA

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

“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.