SCHEMBL6589363

SCHEMBL6589363

CC1(C)NC(=O)C(c2ccc(C#N)cc2Cl)C1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.37
CYP11B2 P19099 3/20 0.35
ESRRA P11474 1/20 0.34
LMNA P02545 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPV4 Q9HBA0 2/20 0.34
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 1/20 0.34
ELANE P08246 1/20 0.34
FASN P49327 1/20 0.34
IDO1 P14902 2/20 0.33
VCAM1 P19320 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCB1 P08183 1/20 0.33
NR3C2 P08235 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL6832170 0.74 ELANE (0.36) ARCYP11B2ESRRAELANEVCAM1
SCHEMBL7142077 0.73 GRIN2D (0.35) KMT2APGR
SCHEMBL5231465 0.73 SLC9A1 (0.41) CACNA1BKMT2AIDO1
SCHEMBL6832132 0.69 ALK (0.34) CYP11B2ESRRALMNAIDO1ABCC9
SCHEMBL6211150 0.68 PGR (0.52) PGR
SCHEMBL7102762 0.68 PGR (0.40) KMT2APGR
SCHEMBL3187330 0.66 CYP11B2 (0.40) ARCYP11B2ELANEFASNVCAM1
SCHEMBL11027190 0.65 ALDH1A1 (0.39) KMT2AIDO1
SCHEMBL11825218 0.64 TP53 (0.54) ARCYP11B2ELANEFASNIDO1
SCHEMBL77027 0.63 CYP3A4 (0.50) ARCYP3A4IDO1VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809629-B1 2-PHENYL-SUBSTITUTED HETEROCYCLIC 1,3-KETONOLS AS HERBICIDES AND PESTICIDES BAYER CROPSCIENCE AG (DE) 2004-06-30 EP disclosed
US-6746990-B2 INSECTICIDES, ACARICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-06-08 US disclosed
US-20030045432-A1 Phenyl-substituted cyclic ketoenols FISCHER REINER (DE) 2003-03-06 US disclosed
US-6358887-B1 PREEMERGENCE, POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-03-19 US disclosed
EP-0809629-A1 2-PHENYL-SUBSTITUTED HETEROCYCLIC 1,3-KETONOLS AS HERBICIDES AND PESTICIDES BAYER AG (DE) 1997-12-03 EP disclosed
WO-1996025395-A1 2-PHENYL-SUBSTITUTED HETEROCYCLIC 1,3-KETONOLS AS HERBICIDES AND PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-08-22 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-20030045432-A1 Phenyl-substituted cyclic ketoenols CYP19A1, DDT, CYP8B1 AR 1439/4885CYP11B2 28/4885ESRRA 244/4885

“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.