SCHEMBL12115993

SCHEMBL12115993

CCc1ccc(-c2ccc(Cl)cc2C)cc1C1=C(O)[C@H]2CC[C@H](CC2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.38
P2RX7 Q99572 4/20 0.34
SUCNR1 Q9BXA5 1/20 0.33
PTGER4 P35408 3/20 0.33
PTGER3 P43115 2/20 0.33
ACACB O00763 2/20 0.33
ACACA Q13085 2/20 0.33
PTGER1 P34995 1/20 0.33
PTGER2 P43116 1/20 0.33
MCHR1 Q99705 1/20 0.32
GCGR P47871 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL18971255 1.00 ABL1 (0.38) ABL1P2RX7SUCNR1PTGER4PTGER3
SCHEMBL18971539 0.94 ABL1 (0.37) ABL1P2RX7SUCNR1ACACBACACA
SCHEMBL12115876 0.94 ABL1 (0.37) ABL1P2RX7SUCNR1ACACBACACA
SCHEMBL18971256 0.90 SLC6A3 (0.37) P2RX7
SCHEMBL12115996 0.90 SLC6A3 (0.37) P2RX7
SCHEMBL12116000 0.88 FASN (0.35)
SCHEMBL13284322 0.88 FASN (0.35)
SCHEMBL12115773 0.87 ACACB (0.37) ACACBACACA
SCHEMBL18971321 0.87 ACACB (0.37) ACACBACACA
SCHEMBL430167 0.85 ABL1 (0.37) ABL1P2RX7SUCNR1ACACBACACA

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 10 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-8828908-B2 Herbicidally active bicyclic 1,3-dione compounds SYNGENTA LIMITED (GB) 2014-09-09 US disclosed
EP-2387311-B1 BICYCLIC 1,3-DIONES AND THEIR USE AS INSECITICIDES, ACARICIDES AND/OR FUNGICIDES BAYER CROPSCIENCE AG (DE) 2013-07-10 EP disclosed
US-20110275813-A1 Bicylic 1,3-diones and Their Use as Insecticides, Acaricides and/or Fungicides BAYER CROPSCIENCE AG (DE) 2011-11-10 US disclosed
US-20110275813-A1 Bicylic 1,3-diones and Their Use as Insecticides, Acaricides and/or Fungicides BAYER CROPSCIENCE AG (DE) 2011-11-10 US disclosed
US-20100216638-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 US disclosed
US-20100216638-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 US disclosed
WO-2010081686-A1 BICYCLIC 1,3-DIONES AND THEIR USE AS INSECITICIDES, ACARICIDES AND/OR FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-07-22 WO 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 (2 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-20110275813-A1 Bicylic 1,3-diones and Their Use as Insecticides, Acaricides and/or Fungicides DDT, CYP1B1, DECR1 ABL1 1330/4885P2RX7 556/4885SUCNR1 627/4885
US-20100216638-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS DDT, CYP1B1, CYP1A1 ABL1 1221/4885P2RX7 2728/4885SUCNR1 2205/4885

“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.