SCHEMBL1170865

SCHEMBL1170865

CC(C)C(C(=O)OCCOCn1c(C(=O)O)cc2occc21)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 6/20 0.40
MAPK1 P28482 1/20 0.38
TP53 P04637 3/20 0.38
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
THRB P10828 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
POLB P06746 1/20 0.34
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34

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
SCHEMBL12879975 0.90 ALDH1A1 (0.58) ALDH1A1TSHRMAPTTP53HTT
SCHEMBL12864966 0.90 ALDH1A1 (0.58) ALDH1A1TSHRMAPTTP53HTT
SCHEMBL12864987 0.90 ALDH1A1 (0.47) ALDH1A1TSHRMAPTMAPK1TP53
SCHEMBL12903845 0.88 ALDH1A1 (0.51) ALDH1A1TSHRMAPTMAPK1TP53
SCHEMBL13319973 0.81 MAPT (0.39) ALDH1A1TSHRMAPTMAPK1TP53
SCHEMBL1170999 0.81 MAPT (0.39) ALDH1A1TSHRMAPTMAPK1TP53
SCHEMBL13319975 0.75 TP53 (0.38) ALDH1A1TSHRMAPTTP53HTT
SCHEMBL12880233 0.75 ALDH1A1 (0.45) ALDH1A1TSHRMAPTTP53HTT
SCHEMBL12865129 0.73 MAPT (0.39) ALDH1A1TSHRMAPTMAPK1TP53
SCHEMBL1171136 0.72 MAPT (0.45) ALDH1A1TSHRMAPTTP53HTT

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-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 US disclosed
WO-2011017634-A2 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACORE INC. (US) 2011-02-10 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-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 ALDH1A1 350/4885TSHR 2891/4885MAPT 2275/4885

“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.