SCHEMBL3102228

SCHEMBL3102228

COC=C(C(=O)O)c1ccccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
STAT3 P40763 1/20 0.50
NPC1 O15118 3/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
RAB9A P51151 1/20 0.49
HTT P42858 2/20 0.49
CTSD P07339 1/20 0.49
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
GPR52 Q9Y2T5 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
KCNK3 O14649 1/20 0.44

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
SCHEMBL3102224 1.00 CA12 (0.56) CA12CA1CA2CA9STAT3
SCHEMBL8474827 0.86 CA12 (0.55) CA12CA1CA2CA9STAT3
SCHEMBL8474824 0.86 CA12 (0.55) CA12CA1CA2CA9STAT3
SCHEMBL2106712 0.85 CTNNB1 (0.54) CA12CA1CA2CA9RAB9A
SCHEMBL2847807 0.85 CTNNB1 (0.54) CA12CA1CA2CA9RAB9A
SCHEMBL2106717 0.85 CTNNB1 (0.54) CA12CA1CA2CA9RAB9A
SCHEMBL12852970 0.85 CTSD (0.51) CA12CA1CA2CA9STAT3
SCHEMBL7163197 0.84 CTNNB1 (0.45) CA12CA1CA2CA9RAB9A
SCHEMBL10388875 0.83 SLC6A3 (0.63) HPGDSMN1; SMN2ALDH1A1ESR1ESR2
SCHEMBL10388873 0.83 SLC6A3 (0.63) HPGDSMN1; SMN2ALDH1A1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278445-B2 Preparation methods of azoxystrobin and its analogs NUTRICHEM COMPANY LIMITED (CN) 2012-10-02 US disclosed
US-20100179320-A1 PREPARATION METHODS OF AZOXYSTROBIN AND ITS ANALOGS NUTRICHEM COMPANY LIMITED (CN) 2010-07-15 US disclosed
EP-1122238-A1 METHYL ACETATE DERIVATIVES AND PESTICIDE COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-08-08 EP 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-20100179320-A1 PREPARATION METHODS OF AZOXYSTROBIN AND ITS ANALOGS FBL, CA7, SI CA12 64/4885CA1 54/4885CA2 74/4885

“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.