SCHEMBL1661413

SCHEMBL1661413

CC(C)[C@H]1COC(C(Cc2ccccc2)NC(=O)OC(C)(C)C)=N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
NPSR1 Q6W5P4 6/20 0.50
HPGD P15428 5/20 0.50
HTT P42858 5/20 0.50
LMNA P02545 5/20 0.50
TSHR P16473 4/20 0.50
HSD17B10 Q99714 4/20 0.50
KMT2A Q03164 4/20 0.50
PKM P14618 3/20 0.50
MEN1 O00255 3/20 0.50
XBP1 P17861 2/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
AGTR1 P30556 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 3/20 0.47
JAK2 O60674 3/20 0.46
S1PR4 O95977 1/20 0.46

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
SCHEMBL5014109 0.85 ALDH1A1 (0.49) ALDH1A1NPSR1HPGDHTTLMNA
SCHEMBL12855577 0.85 ALDH1A1 (0.46) ALDH1A1NPSR1HPGDHTTLMNA
SCHEMBL800921 0.74 PPARA (0.49) ALDH1A1NPSR1HPGDHTTLMNA
SCHEMBL19407491 0.74 ATM (0.42) ALDH1A1NPSR1LMNATSHRKMT2A
SCHEMBL19407563 0.74 ATM (0.42) ALDH1A1NPSR1LMNATSHRKMT2A
SCHEMBL7438571 0.72 ATM (0.54) ALDH1A1NPSR1HPGDHTTLMNA
SCHEMBL496136 0.72 ATM (0.54) ALDH1A1NPSR1HPGDHTTLMNA
SCHEMBL5865405 0.72 ATM (0.54) ALDH1A1NPSR1HPGDHTTLMNA
SCHEMBL1104909 0.72 ATM (0.54) ALDH1A1NPSR1HPGDHTTLMNA
SCHEMBL639229 0.72 ATM (0.54) ALDH1A1NPSR1HPGDHTTLMNA

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-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST MASHIMA KAZUSHI 2011-04-28 US disclosed
US-7888513-B2 Condensation reaction by metal catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-15 US disclosed
US-20090198070-A1 Condensation Reaction by Metal Catalyst OSAKA UNIVERSITY (JP) 2009-08-06 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 (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-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST C9, CBR3, C1R ALDH1A1 2265/4885NPSR1 1530/4885HPGD 4312/4885
US-20090198070-A1 Condensation Reaction by Metal Catalyst C9, CBR3, C1R ALDH1A1 2265/4885NPSR1 1530/4885HPGD 4312/4885

“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.