SCHEMBL85711

SCHEMBL85711

COc1cc(C(O)C=N)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ BLM P54132 2/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ PMP22 Q01453 1/20 0.55
▸ SLC22A3 O75751 1/20 0.51
▸ TRPA1 O75762 1/20 0.50
▸ MAOB P27338 1/20 0.48
▸ BCHE P06276 2/20 0.48
▸ TYR P14679 2/20 0.48
▸ ACHE P22303 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ AR P10275 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ TRPM8 Q7Z2W7 1/20 0.46
▸ TRIM24 O15164 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALDH5A1 P51649 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
SCHEMBL1360247 0.83 TRPA1 (0.59) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL2506281 0.83 TSHR (0.61) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL30924863 0.83 TSHR (0.61) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL705159 0.80 TSHR (0.68) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL7901872 0.80 TSHR (0.68) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL15553306 0.78 TSHR (0.66) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL1301569 0.78 TSHR (0.66) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL29466173 0.78 TSHR (0.66) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL20563424 0.77 TSHR (0.65) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL30343472 0.77 TSHR (0.65) 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 2 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-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 TSHR 272/4885CYP3A4 75/4885BLM 3052/4885

“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.

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