SCHEMBL20355705

SCHEMBL20355705

CC(C)(C)OC(=O)Cn1c(=O)oc2cccc(F)c21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
IDO1 P14902 2/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.39
CDYL2 Q8N8U2 3/20 0.39
CDYL Q9Y232 3/20 0.39
CDY1; CDY1B Q9Y6F8 3/20 0.39
EPHX2 P34913 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
LMNA P02545 1/20 0.38
CBX7 O95931 2/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL15157087 0.86 KMT2A (0.45) ALDH1A1KDM4EIDO1HPGDHTT
SCHEMBL20082376 0.86 SMN1; SMN2 (0.46) ALDH1A1KDM4EIDO1HPGDHTT
SCHEMBL20355708 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EIDO1HPGDCDYL2
SCHEMBL16186530 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EIDO1HPGDCDYL2
SCHEMBL16186528 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EIDO1HPGDHTT
SCHEMBL16186524 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EIDO1
SCHEMBL5283365 0.80 HPGD (0.62) ALDH1A1KDM4EIDO1HPGDHTT
SCHEMBL18329422 0.80 IDO1 (0.44) ALDH1A1IDO1HPGDHTT
SCHEMBL29670897 0.80 IDO1 (0.44) ALDH1A1IDO1HPGDHTT
SCHEMBL20356854 0.80 MEN1 (0.52) ALDH1A1HTTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10426784-B2 Imidazodiazepine compound ASTELLAS PHARMA INC. (JP) 2019-10-01 US disclosed
US-20180185383-A1 IMIDAZODIAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2018-07-05 US disclosed
US-20180185383-A1 IMIDAZODIAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2018-07-05 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 (2 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-20180185383-A1 IMIDAZODIAZEPINE COMPOUND HTR1D, DRD2, DRD1 ALDH1A1 1637/4885KDM4E 2920/4885IDO1 343/4885
US-10426784-B2 Imidazodiazepine compound GRIN2D, HTR1D, DRD2 ALDH1A1 1063/4885KDM4E 2841/4885IDO1 595/4885

“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.