SCHEMBL17982136

SCHEMBL17982136

COc1ccc(Cn2c(C)nnc2CO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ GAA P10253 2/20 0.51
▸ GLA P06280 1/20 0.51
▸ DCTPP1 Q9H773 2/20 0.48
▸ GFER P55789 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CMA1 P23946 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 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
SCHEMBL20413798 0.86 KDM4E (0.56) ALDH1A1KDM4EMAPTALOX15GAA
SCHEMBL9423215 0.75 SMN1; SMN2 (0.52) MAPTGAADCTPP1LMNAHTT
SCHEMBL10868170 0.75 OXTR (0.52) ALDH1A1MAPTGAAGLALMNA
SCHEMBL17963100 0.73 KDM4E (0.51) ALDH1A1KDM4EMAPTALOX15GAA
SCHEMBL17982169 0.73 CYP11B2 (0.52) ALDH1A1KDM4EMAPTALOX15LMNA
SCHEMBL3735937 0.73 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTALOX15GAA
SCHEMBL24484076 0.72 GAA (0.54) ALDH1A1KDM4EMAPTALOX15GAA
SCHEMBL30071654 0.72 GAA (0.60) ALDH1A1KDM4EMAPTALOX15GAA
SCHEMBL29670353 0.72 GAA (0.51) ALDH1A1KDM4EMAPTALOX15GAA
SCHEMBL1628544 0.72 GAA (0.50) ALDH1A1KDM4EMAPTALOX15GAA

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-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation Sanford Burnham Prebys Medical Discovery Institute 2018-07-26 — — US disclosed
WO-2016123392-A2 PYRAZOLOPYRIMIDINES AS INHIBITORS OF GLUCOCORTICOID RECEPTOR TRANSLOCATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2016-08-04 — — WO 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-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation NR3C1, NR3C2, GRK3 ALDH1A1 3369/4885KDM4E 3498/4885MAPT 1843/4885

“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.

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