SCHEMBL13332454

SCHEMBL13332454

CC(C)(C)OC(=O)CN(CCO)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ GAA P10253 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SCN1A P35498 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ CCNE2 O96020 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ GSTO1 P78417 1/20 0.38

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
SCHEMBL13603880 0.84 TDP1 (0.41) ALDH1A1MEN1CYP3A4CYP2C19KMT2A
SCHEMBL19208144 0.83 USP2 (0.46) ALDH1A1MEN1CYP3A4CYP2C19KMT2A
SCHEMBL12623431 0.82 MEN1 (0.40) ALDH1A1GAAMEN1CYP3A4CYP2C19
SCHEMBL7429558 0.81 SMN1; SMN2 (0.48) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL28184171 0.79 GSTO1 (0.44) ALDH1A1MEN1CYP3A4CYP2C19KMT2A
SCHEMBL6437793 0.78 MEN1 (0.42) ALDH1A1MEN1CYP3A4CYP2C19KMT2A
SCHEMBL547493 0.77 ALDH1A1 (0.51) ALDH1A1GAAMEN1CYP3A4CYP2C19
SCHEMBL3844227 0.77 MEN1 (0.52) ALDH1A1MEN1CYP3A4CYP2C19KMT2A
SCHEMBL12222166 0.76 CYP2C19 (0.37) MEN1CYP3A4CYP2C19KMT2ASMN1; SMN2
SCHEMBL27540372 0.76 SMN1; SMN2 (0.42) ALDH1A1GAAMEN1CYP3A4CYP2C19

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-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 — — US disclosed
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 — — 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-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND P2RY12, P2RY4, P2RY1 ALDH1A1 1350/4885GAA 4306/4885MEN1 3655/4885

“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