SCHEMBL987817

SCHEMBL987817

Cc1cccc(C)c1C1C(=O)CC(CC2CCCCC2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
P2RX7 Q99572 1/20 0.34
CNR2 P34972 3/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ACHE P22303 2/20 0.32
CEL P19835 1/20 0.32
DRD1 P21728 1/20 0.32
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
CNR1 P21554 1/20 0.31
PDE9A O76083 1/20 0.31

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
SCHEMBL1652175 0.86 PARP14 (0.38) ACHE
SCHEMBL15905639 0.86 ACHE (0.33) LMNAMAPK1ACHEALDH1A1
SCHEMBL1035860 0.86 ACHE (0.33) LMNAMAPK1ACHEALDH1A1
SCHEMBL10326927 0.86 ACHE (0.33) LMNAMAPK1ACHEALDH1A1
SCHEMBL10327111 0.84 ACHE (0.31) ACHE
SCHEMBL10327381 0.82
SCHEMBL11222813 0.78 GRM7 (0.33) OPRM1OPRK1OPRL1NPC1LMNA
SCHEMBL10277168 0.78 CRBN (0.31) ACHE
SCHEMBL10327226 0.74 POLB (0.33) NPC1
SCHEMBL12239260 0.73 BRD4 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791303-B2 Herbicides SYNGENTA LIMITED (GB) 2014-07-29 US disclosed
US-8791303-B2 Herbicides SYNGENTA LIMITED (GB) 2014-07-29 US disclosed
US-8791303-B2 Herbicides SYNGENTA LIMITED (GB) 2014-07-29 US disclosed
US-20120178623-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-07-12 US disclosed
US-20120178623-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-07-12 US disclosed
US-20120178623-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-07-12 US disclosed
EP-2454223-A1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE DERIVATIVES Syngenta Limited (GB) 2012-05-23 EP disclosed
WO-2011007146-A1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2011-01-20 WO disclosed
WO-2011007146-A1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2011-01-20 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-20120178623-A1 NOVEL HERBICIDES DDT, CBR3, C9 OPRM1 872/4885OPRK1 1527/4885OPRL1 1215/4885

“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.