SCHEMBL1766747

SCHEMBL1766747

COc1ccc(COC(=O)[C@@H]2CCC[C@H]2C(=O)O)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
APLNR P35414 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL12533279 1.00 KMT2A (0.51) KMT2AMEN1NPSR1ALDH1A1POLB
SCHEMBL1766751 1.00 KMT2A (0.51) KMT2AMEN1NPSR1ALDH1A1POLB
SCHEMBL23961047 1.00 KMT2A (0.51) KMT2AMEN1NPSR1ALDH1A1POLB
SCHEMBL23959329 0.98 KMT2A (0.54) KMT2AMEN1NPSR1ALDH1A1POLB
SCHEMBL23961091 0.98 KMT2A (0.54) KMT2AMEN1NPSR1ALDH1A1POLB
SCHEMBL23961118 0.83 TSHR (0.53) KMT2AMEN1NPSR1ALDH1A1POLB
SCHEMBL25566925 0.83 TSHR (0.53) KMT2AMEN1NPSR1ALDH1A1POLB
SCHEMBL30261137 0.81 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1POLBTDP1
SCHEMBL26376274 0.79 CD274 (0.41) KMT2AMEN1NPSR1TSHRMAPK1
SCHEMBL23716892 0.77 KMT2A (0.48) KMT2AMEN1ALDH1A1POLBTDP1

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-20110130438-A1 ANILINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-06-02 US disclosed
US-7939569-B1 Aniline analogs as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-10 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-20110130438-A1 ANILINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, PYGL, GYS1 KMT2A 2610/4885MEN1 3530/4885NPSR1 3175/4885

“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.