SCHEMBL3103586

SCHEMBL3103586

CC(=O)OSCOc1cc(C)c2ncc(Cl)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.33
TP53 P04637 1/20 0.32
OGG1 O15527 1/20 0.32
HPGD P15428 3/20 0.31
POLB P06746 2/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TSHR P16473 1/20 0.30
RECQL P46063 1/20 0.30
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NOD2 Q9HC29 1/20 0.30
CYP3A4 P08684 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
SCHEMBL3646689 0.81 TDP1 (0.38) MCL1TP53OGG1HPGDPOLB
SCHEMBL3103588 0.81 MCL1 (0.38) MCL1TP53HPGDMAPTTSHR
SCHEMBL3103668 0.78 MAPT (0.42) TP53HPGDMAPTTSHRALDH1A1
SCHEMBL3103581 0.74 TSHR (0.35) MCL1TP53TSHRRECQL
SCHEMBL3103661 0.73 MAPT (0.37) MCL1TP53HPGDMAPTL3MBTL1
SCHEMBL13108786 0.69 L3MBTL1 (0.37) POLBMAPTL3MBTL1TSHRRECQL
SCHEMBL3105613 0.68 ABCB11 (0.40) TP53HPGDMAPTTSHRALDH1A1
SCHEMBL18458802 0.67 PSMD14 (0.44) HPGDPOLBMAPTL3MBTL1RECQL
SCHEMBL19780469 0.67 PTGDR2 (0.38) L3MBTL1
SCHEMBL3103568 0.66 CYP3A4 (0.43) MAPTALDH1A1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256183-A1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-10-07 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-20100256183-A1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES CYP1A2, AADAC, CYP51A1 MCL1 1722/4885TP53 4338/4885OGG1 3810/4885

“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.