SCHEMBL85849

SCHEMBL85849

COc1cc(C(C#N)OC)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 2/20 0.53
CYP3A4 P08684 1/20 0.53
BLM P54132 2/20 0.51
NFKB1 P19838 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PMP22 Q01453 1/20 0.50
MAOB P27338 1/20 0.47
BCHE P06276 2/20 0.47
TYR P14679 2/20 0.47
ACHE P22303 2/20 0.47
SLC22A3 O75751 1/20 0.47
EGFR P00533 1/20 0.46
KMT2A Q03164 2/20 0.45
CYP19A1 P11511 1/20 0.44
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL77463 0.81 TSHR (0.58) ALDH1A1KDM4EHSD17B10L3MBTL1TSHR
SCHEMBL13850527 0.81 TP53 (0.39) ALDH1A1KDM4EHSD17B10L3MBTL1TSHR
SCHEMBL1596291 0.78 TSHR (0.62) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL8740790 0.77 TSHR (0.64) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL31651462 0.77 TSHR (0.64) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL30731685 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10L3MBTL1TSHR
SCHEMBL30343472 0.76 TSHR (0.65) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL1595549 0.76 TSHR (0.65) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL20563424 0.76 TSHR (0.65) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL30474606 0.75 TSHR (0.59) TSHRCYP3A4BLMNFKB1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129560-B2 Process for the synthesis of mandipropamid and derivatives thereof SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed
US-8129560-B2 Process for the synthesis of mandipropamid and derivatives thereof SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed
US-20090118532-A1 Process for the Synthesis of Mandipropamid and Derivatives Thereof SYNGENTA CROP PROTECTION, INC. (US) 2009-05-07 US disclosed
US-20090118532-A1 Process for the Synthesis of Mandipropamid and Derivatives Thereof SYNGENTA CROP PROTECTION, INC. (US) 2009-05-07 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-20090118532-A1 Process for the Synthesis of Mandipropamid and Derivatives Thereof OPRM1, OPRD1, ADRA1D ALDH1A1 201/4885KDM4E 684/4885HSD17B10 843/4885

“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.