Sugi Predict

Sugi Predict / Compounds / SCHEMBL6727294

SCHEMBL6727294

SCHEMBL6727294

CCc1ccc(-c2ccc(Cl)cc2)cc1C1=C(O)[C@H]2[C@@H](C1=O)[C@]1(C)CC[C@@]2(C)O1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.36
▸ ACACA Q13085 6/20 0.36
▸ PGR P06401 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ MET P08581 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ PRKACA P17612 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ MAP2K2 P36507 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ MAP2K1 Q02750 1/20 0.31
▸ MST1R Q04912 1/20 0.31
▸ NTRK3 Q16288 1/20 0.31
▸ NTRK2 Q16620 1/20 0.31
▸ CAMK1D Q8IU85 1/20 0.31
▸ DGAT1 O75907 3/20 0.31
▸ TDP2 O95551 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
SCHEMBL13068675 1.00 ACACB (0.36) ACACBACACAPGRJAK2NTRK1
SCHEMBL18874236 1.00 ACACB (0.36) ACACBACACAPGRJAK2NTRK1
SCHEMBL18873813 0.91 PGR (0.36) ACACBACACAPGR
SCHEMBL6727337 0.91 PGR (0.36) ACACBACACAPGR
SCHEMBL16776718 0.91 PGR (0.36) ACACBACACAPGR
SCHEMBL18873873 0.90 CNR1 (0.34) —
SCHEMBL6727503 0.90 CNR1 (0.34) —
SCHEMBL18873857 0.89 ABL1 (0.34) ACACBACACA
SCHEMBL6727388 0.89 ABL1 (0.34) ACACBACACA
SCHEMBL6727309 0.88 FASN (0.33) —

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-2173755-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2017-05-17 — — EP disclosed
US-8940913-B2 Herbicides SYNGENTA CROP PROTECTION, LLC (US) 2015-01-27 — — US disclosed
US-8940913-B2 Herbicides SYNGENTA CROP PROTECTION, LLC (US) 2015-01-27 — — US disclosed
US-8835657-B2 Cyclopentanedione compounds and their use as insecticides, acaricides and/or fungicides BAYER CROPSCIENCE AG (DE) 2014-09-16 — — US disclosed
US-8835657-B2 Cyclopentanedione compounds and their use as insecticides, acaricides and/or fungicides BAYER CROPSCIENCE AG (DE) 2014-09-16 — — US disclosed
US-20120142529-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2012-06-07 — — US disclosed
US-20120142529-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2012-06-07 — — US disclosed
US-20120123129-A1 Cyclopentanedione Compounds and Their Use as Insecticides, Acaricides and/or Fungicides BAYER CROPSCIENCE AG (DE) 2012-05-17 — — US disclosed
US-20120123129-A1 Cyclopentanedione Compounds and Their Use as Insecticides, Acaricides and/or Fungicides BAYER CROPSCIENCE AG (DE) 2012-05-17 — — US disclosed
WO-2009019015-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-12 — — 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-20120123129-A1 Cyclopentanedione Compounds and Their Use as Insecticides, Acaricides and/or Fungicides CYP51A1, CYP1B1, CBR3 ACACB 246/4885ACACA 122/4885PGR 3209/4885
US-20120142529-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ACACB 889/4885ACACA 1264/4885PGR 4626/4885

“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.