SCHEMBL10224873

SCHEMBL10224873

CCOc1cc(CC(C)(C)C)cc(-c2ccn(C)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
KEAP1 Q14145 1/20 0.39
KMT2A Q03164 1/20 0.37
SCN4A P35499 1/20 0.37
JMJD6 Q6NYC1 5/20 0.36
MPO P05164 1/20 0.33
TTK P33981 1/20 0.33
SLC16A3 O15427 4/20 0.32
SLC16A1 P53985 4/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
SRC P12931 3/20 0.31
ABL1 P00519 1/20 0.31

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
SCHEMBL16301366 0.86 CYP19A1 (0.49) CYP19A1KEAP1KMT2ASCN4AJMJD6
SCHEMBL10223986 0.75 LMNA (0.36)
SCHEMBL24378643 0.75 KMT2A (0.51) CYP19A1KMT2AMPOFGFR2FGFR3
SCHEMBL12776126 0.74 KEAP1 (0.59) CYP19A1KEAP1KMT2ASCN4A
SCHEMBL26253637 0.68 TP53 (0.44) KEAP1KMT2ASLC16A3SLC16A1FGFR2
SCHEMBL25005892 0.67 NQO1 (0.35)
SCHEMBL31510906 0.67 KMT2A (0.52) CYP19A1KEAP1KMT2ASCN4AJMJD6
SCHEMBL12775724 0.66 TP53 (0.56)
SCHEMBL12561575 0.64 NQO1 (0.61)
SCHEMBL25606044 0.63 KMT2A (0.56) CYP19A1KEAP1KMT2ASCN4AJMJD6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT CYP19A1 567/4885KEAP1 982/4885KMT2A 4058/4885

“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.