SCHEMBL12412841

SCHEMBL12412841

CCOC(=O)OC(CC)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SOAT1 P35610 1/20 0.46
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
TRPA1 O75762 1/20 0.33
MMP8 P22894 1/20 0.31
MAPT P10636 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL14890864 0.89 ALDH1A1 (0.57) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL10344383 0.87 ALDH1A1 (0.50) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL14693780 0.86 ALDH1A1 (0.33) ALDH1A1SOAT1LMNA
SCHEMBL18050517 0.83 ALDH1A1 (0.46) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL19018966 0.83 TSHR (0.39) ALDH1A1LMNA
SCHEMBL12863912 0.83 HCAR2 (0.34) ALDH1A1LMNAHSD17B10HCAR2
SCHEMBL14891226 0.83 ALDH1A1 (0.52) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL12863899 0.82 SMN1; SMN2 (0.34) ALDH1A1HSD17B10MMP8
SCHEMBL19018967 0.80
SCHEMBL12863909 0.80 TSHR (0.39) LMNAHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166194-A1 Asenapine Prodrugs ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 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 (4 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-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B ALDH1A1 432/4885SOAT1 1705/4885LMNA 1099/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB ALDH1A1 307/4885SOAT1 1524/4885LMNA 1728/4885
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 ALDH1A1 350/4885SOAT1 2509/4885LMNA 4705/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 ALDH1A1 350/4885SOAT1 2509/4885LMNA 4705/4885

“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.