SCHEMBL20148271

SCHEMBL20148271

CC(C)(C)c1ccc(CC(=O)CCC2CC(=O)C2)c(N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTGER2 P43116 2/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ PTGER3 P43115 1/20 0.34
▸ CHEK1 O14757 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ GRK5 P34947 1/20 0.33
▸ MAP2K2 P36507 1/20 0.33
▸ MAPK8 P45983 1/20 0.33

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
SCHEMBL20148270 0.81 ALDH1A1 (0.40) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL16129058 0.78 HDAC3 (0.41) ALDH1A1MEN1GAAMAPTPKM
SCHEMBL9505783 0.69 ALDH1A1 (0.55) ANO1ALDH1A1MEN1GAAMAPT
SCHEMBL18392736 0.68 ALDH1A1 (0.53) ANO1ALDH1A1MEN1GAAMAPT
SCHEMBL20152234 0.67 NPC1 (0.41) ALDH1A1MEN1GAAMAPTPKM
SCHEMBL31273837 0.66 ALDH1A1 (0.57) ANO1ALDH1A1MEN1GAAMAPT
SCHEMBL18901113 0.66 ALDH1A1 (0.57) ANO1ALDH1A1MEN1GAAMAPT
SCHEMBL840783 0.66 ALDH1A1 (0.55) ANO1ALDH1A1MEN1GAAMAPT
SCHEMBL16093872 0.65 ALDH1A1 (0.54) ALDH1A1MEN1MAPTPKMRECQL
SCHEMBL9106968 0.62 FOLH1 (0.40) MEN1PKMKMT2A

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-20180134745-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2018-05-17 — — US disclosed
US-20180134745-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2018-05-17 — — 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-20180134745-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS DOT1L, MECP2, TDP1 ANO1 1984/4885ALDH1A1 652/4885MEN1 3495/4885

“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.

Send feedback