SCHEMBL12115754

SCHEMBL12115754

CCc1ccc(-c2ccc(Cl)cc2)cc1C1=C(O)[C@H]2CC[C@H](C2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
NTRK1 P04629 1/20 0.36
MET P08581 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.36
MAP2K1 Q02750 1/20 0.36
MST1R Q04912 1/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 1/20 0.36
CAMK1D Q8IU85 1/20 0.36
SLC6A3 Q01959 3/20 0.36
ACACB O00763 6/20 0.36
ACACA Q13085 6/20 0.36
ALOX5 P09917 1/20 0.32
HSD17B1 P14061 1/20 0.32
EDNRB P24530 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
SCHEMBL18971220 1.00 JAK2 (0.36) JAK2NTRK1METFGFR1PRKACA
SCHEMBL18971321 0.93 ACACB (0.37) JAK2NTRK1METFGFR1PRKACA
SCHEMBL12115773 0.93 ACACB (0.37) JAK2NTRK1METFGFR1PRKACA
SCHEMBL18971735 0.91 HSD17B1 (0.36) JAK2NTRK1METFGFR1PRKACA
SCHEMBL12115786 0.91 HSD17B1 (0.36) JAK2NTRK1METFGFR1PRKACA
SCHEMBL18971237 0.91 HSD17B1 (0.36) JAK2NTRK1METFGFR1PRKACA
SCHEMBL12115906 0.90 PGR (0.37) ALOX5TDP2
SCHEMBL18971248 0.89 SLC6A3 (0.41) SLC6A3ACACBACACAHSD17B1HPGD
SCHEMBL12115892 0.89 SLC6A3 (0.41) SLC6A3ACACBACACAHSD17B1HPGD
SCHEMBL12115788 0.89 CYP26A1 (0.36) NTRK2HSD17B1EDNRBEDNRAMAPT

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 JAK2 2930/4885NTRK1 3662/4885MET 4281/4885
US-20100216638-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS DDT, CYP1B1, CYP1A1 JAK2 4163/4885NTRK1 3901/4885MET 3610/4885

“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.