SCHEMBL3140700

SCHEMBL3140700

COc1cc(C(=O)NC2CCCCC2)cc(OC)c1OC

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.77
MAPK1 P28482 1/20 0.71
OPRK1 P41145 1/20 0.71
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
TDP1 Q9NUW8 1/20 0.66
PKM P14618 1/20 0.64
ALDH1A1 P00352 1/20 0.64
TACR2 P21452 1/20 0.61
TACR1 P25103 1/20 0.61
TSHR P16473 1/20 0.60
SIRT5 Q9NXA8 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.57
RAB9A P51151 1/20 0.57
MMP2 P08253 2/20 0.56
ANPEP P15144 2/20 0.56

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
SCHEMBL463415 0.87 MAPK1 (0.74) POLBMAPK1OPRK1MEN1KMT2A
SCHEMBL24162888 0.86 MEN1 (0.68) POLBMAPK1OPRK1MEN1KMT2A
SCHEMBL3777230 0.85 ALDH1A1 (0.63) POLBMAPK1OPRK1MEN1KMT2A
SCHEMBL3144408 0.85 MEN1 (0.67) POLBMAPK1OPRK1MEN1KMT2A
SCHEMBL11833305 0.84 SIGMAR1 (0.59) POLBMAPK1OPRK1MEN1KMT2A
Troxipide SCHEMBL400623 0.83 MAPK1 (1.00) POLBMAPK1OPRK1MEN1KMT2A
SCHEMBL3143526 0.83 KMT2A (0.74) MEN1KMT2AALDH1A1L3MBTL1RAB9A
SCHEMBL11687058 0.83 KMT2A (0.74) MEN1KMT2AALDH1A1L3MBTL1RAB9A
SCHEMBL4242233 0.83 MEN1 (0.56) POLBMAPK1OPRK1MEN1KMT2A
SCHEMBL11244247 0.83 MEN1 (1.00) POLBMEN1KMT2AALDH1A1L3MBTL1

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-20100137445-A1 PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD SUMITOMO CHEMICAL COMPANY ,LIMITED 2010-06-03 US disclosed
US-20100137445-A1 PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD SUMITOMO CHEMICAL COMPANY ,LIMITED 2010-06-03 US disclosed
EP-2179651-A1 PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD Sumitomo Chemical Company, Limited (JP) 2010-04-28 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-20100137445-A1 PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD CBR3, CBR1, HDHD5 POLB 3274/4885MAPK1 2267/4885OPRK1 4673/4885

“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.