SCHEMBL12267832

SCHEMBL12267832

CC(C)C1=C(O)CC(C)(C)CC1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.64
ALOX5 P09917 3/20 0.64
ALDH1A1 P00352 11/20 0.53
MAPT P10636 7/20 0.53
KDM4E B2RXH2 3/20 0.53
POLB P06746 3/20 0.52
HPGD P15428 5/20 0.50
KMT2A Q03164 5/20 0.50
WRN Q14191 4/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 2/20 0.49
LMNA P02545 2/20 0.49
PKM P14618 2/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MC4R P32245 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL13562165 0.77 PTGES (0.43) PTGESALOX5ALDH1A1MAPTKDM4E
SCHEMBL16850573 0.73 WRN (0.61) PTGESALOX5ALDH1A1MAPTKDM4E
SCHEMBL31146953 0.73 ALDH1A1 (0.60) PTGESALOX5ALDH1A1MAPTKDM4E
SCHEMBL5609353 0.73 ALDH1A1 (0.61) PTGESALOX5ALDH1A1MAPTKDM4E
SCHEMBL10216432 0.71 ALDH1A1 (0.59) PTGESALOX5ALDH1A1MAPTKDM4E
SCHEMBL31146956 0.71 ALDH1A1 (0.57) PTGESALOX5ALDH1A1MAPTPOLB
SCHEMBL2558614 0.71 PTGES (0.49) PTGESALOX5ALDH1A1MAPTKDM4E
SCHEMBL31146957 0.71 WRN (0.60) PTGESALOX5ALDH1A1MAPTKDM4E
SCHEMBL31146971 0.71 WRN (0.63) PTGESALOX5ALDH1A1MAPTKDM4E
SCHEMBL31146966 0.71 WRN (0.63) PTGESALOX5ALDH1A1MAPTKDM4E

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
US-8927458-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2015-01-06 US disclosed
US-8658798-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2014-02-25 US disclosed
US-8658798-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2014-02-25 US disclosed
US-20130296168-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2013-11-07 US disclosed
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2011-09-29 US 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-20130296168-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK PTGES 2701/4885ALOX5 3852/4885ALDH1A1 43/4885
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK PTGES 2506/4885ALOX5 3798/4885ALDH1A1 56/4885

“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.