SCHEMBL3027746

SCHEMBL3027746

CCc1ccc(-n2cc(C)cn2)cc1C1C(=O)C2CCC(C2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.34
NR1H4 Q96RI1 1/20 0.32
KAT6A Q92794 1/20 0.31
PDE10A Q9Y233 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 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
SCHEMBL18971146 0.76 NR1H4 (0.32) ALOX5APNR1H4KAT6ABRD4CREBBP
SCHEMBL12115764 0.76 NR1H4 (0.32) ALOX5APNR1H4KAT6ABRD4CREBBP
SCHEMBL12116111 0.76 NR1H4 (0.32) ALOX5APNR1H4KAT6ABRD4CREBBP
SCHEMBL3028106 0.74 NOTUM (0.33)
SCHEMBL3027535 0.74 HSP90AA1 (0.30)
SCHEMBL415663 0.71 TSHR (0.37)
SCHEMBL3028271 0.71 IDO1 (0.31)
SCHEMBL3016933 0.68 LPL (0.34)
SCHEMBL3030921 0.66 GRIA2 (0.38)
SCHEMBL3033974 0.66 TGFBR1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155645-B1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LTD (GB) 2017-06-14 EP disclosed
US-8828908-B2 Herbicidally active bicyclic 1,3-dione compounds SYNGENTA LIMITED (GB) 2014-09-09 US disclosed
US-20100216638-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 US disclosed
EP-2155645-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS Syngenta Limited (GB) 2010-02-24 EP disclosed
WO-2008145336-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LIMITED (GB) 2008-12-04 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-20100216638-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS DDT, CYP1B1, CYP1A1 ALOX5AP 3434/4885NR1H4 2969/4885KAT6A 3429/4885

“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.