SCHEMBL4557955

SCHEMBL4557955

C=C1Oc2ccc(O)c(-c3c[nH]c4ccccc34)c2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.40
PRKCB P05771 2/20 0.40
PRKCA P17252 2/20 0.40
PRKD3 O94806 1/20 0.40
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
ABL1 P00519 1/20 0.40
PRKCG P05129 1/20 0.40
CDK1 P06493 1/20 0.40
PIM1 P11309 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
CCND1 P24385 1/20 0.40
PRKCH P24723 1/20 0.40
CCNE1 P24864 1/20 0.40

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
SCHEMBL4557937 0.85 MAOB (0.41) SIRT2PRKCBPRKCAPRKD3CCNB2
SCHEMBL4557411 0.84 MAPT (0.42) SIRT2PRKCBPRKCAPRKD3CCNB2
SCHEMBL4557945 0.82 CYP1A1 (0.47) SIRT2PRKCBPRKCAPRKD3CCNB2
SCHEMBL4556996 0.81 PTPRC (0.45) SIRT2PRKCBPRKCAPRKD3CCNB2
SCHEMBL9572019 0.71 PTPN1 (0.59) SIRT2PRKCBPRKCAPRKD3CCNB2
SCHEMBL4557953 0.71 MAOB (0.43) PIK3CAMTORSIRT2PRKCBPRKCA
SCHEMBL4557409 0.70 MAPT (0.43) SIRT2PRKCBPRKCAPRKD3CCNB2
SCHEMBL4557936 0.70 MAOB (0.41) SIRT2PRKCBPRKCAPRKD3CCNB2
SCHEMBL4556994 0.69 PTPRC (0.47) SIRT2PRKCBPRKCAPRKD3CCNB2
SCHEMBL14008639 0.68 TYR (0.51) ALDH1A1LMNACYP1A2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 PIK3CA 4/4885MTOR 1/4885SIRT2 1248/4885

“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.