SCHEMBL2012180

SCHEMBL2012180

COC(=O)CC(=O)C1(Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
TSHR P16473 5/20 0.40
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.31
TET2 Q6N021 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.30
CA14 Q9ULX7 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
RECQL P46063 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
SCHEMBL3531364 0.74 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL17501817 0.73 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL16486066 0.73 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL3154792 0.70
SCHEMBL3154786 0.70
SCHEMBL18120671 0.70
SCHEMBL11376813 0.70 MGAM (0.39) MGAMGAASIMGAM2TSHR
SCHEMBL20599684 0.68 NPSR1 (0.38) MGAMGAASIMGAM2TSHR
SCHEMBL53913 0.68
SCHEMBL3441102 0.68 MGAM (0.69) MGAMGAASIMGAM2TSHR

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
EP-2509959-A1 AZOLE DERIVATIVES AND METHODS FOR PRODUCING THE SAME, INTERMEDIATE COMPOUNDS FOR THE DERIVATIVES AND METHODS FOR PRODUCING THE SAME, AND AGRO-HORTICULTURAL AGENTS AND INDUSTRIAL MATERIAL PROTECTING AGENTS CONTAINING THE DERIVATIVES Kureha Corporation (JP) 2012-10-17 EP disclosed
US-20120238762-A1 AZOLE DERIVATIVES AND METHODS FOR PRODUCING THE SAME, INTERMEDIATE COMPOUNDS FOR THE DERIVATIVES AND METHODS FOR PRODUCING THE SAME, AND AGRO-HORTICULTURAL AGENTS AND INDUSTRIAL MATERIAL PROTECTING AGENTS CONTAINING THE DERIVATIVES KUREHA CORPORATION (JP) 2012-09-20 US disclosed
WO-2011070742-A1 AZOLE DERIVATIVES AND METHODS FOR PRODUCING THE SAME, INTERMEDIATE COMPOUNDS FOR THE DERIVATIVES AND METHODS FOR PRODUCING THE SAME, AND AGRO-HORTICULTURAL AGENTS AND INDUSTRIAL MATERIAL PROTECTING AGENTS CONTAINING THE DERIVATIVES KUREHA CORPORATION (JP) 2011-06-16 WO 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-20120238762-A1 AZOLE DERIVATIVES AND METHODS FOR PRODUCING THE SAME, INTERMEDIATE COMPOUNDS FOR THE DERIVATIVES AND METHODS FOR PRODUCING THE SAME, AND AGRO-HORTICULTURAL AGENTS AND INDUSTRIAL MATERIAL PROTECTING AGENTS CONTAINING THE DERIVATIVES CBR3, AKR1C3, AKR1C4 MGAM 113/4885GAA 3602/4885SI 81/4885

“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.