SCHEMBL2225902

SCHEMBL2225902

COc1ccc(C=C(C(=O)O)C(=O)O)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.75
TDP1 Q9NUW8 1/20 0.75
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 2/20 0.60
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HSD17B10 Q99714 1/20 0.60
IKBKB O14920 2/20 0.58
CHUK O15111 2/20 0.58
IKBKG Q9Y6K9 2/20 0.58
GLO1 Q04760 2/20 0.58
MAPT P10636 1/20 0.57
CYP1A2 P05177 2/20 0.56
TSHR P16473 1/20 0.56
AKR1C3 P42330 1/20 0.56
HTT P42858 1/20 0.55
AKR1C2 P52895 1/20 0.55
NFE2L2 Q16236 1/20 0.54

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
SCHEMBL7813363 0.96 GAA (0.75) GAATDP1ALDH1A1KDM4EHPGD
SCHEMBL7813366 0.96 GAA (0.75) GAATDP1ALDH1A1KDM4EHPGD
SCHEMBL9473791 0.92 GAA (0.84) GAATDP1ALDH1A1KDM4EHPGD
SCHEMBL9473794 0.92 GAA (0.84) GAATDP1ALDH1A1KDM4EHPGD
SCHEMBL11555948 0.89 GAA (0.65) GAATDP1ALDH1A1KDM4EHPGD
SCHEMBL27763643 0.88 GAA (0.59) GAATDP1ALDH1A1KDM4EHPGD
SCHEMBL6380247 0.86 ALDH1A1 (0.62) GAATDP1ALDH1A1IKBKBCHUK
SCHEMBL2213640 0.86 MAPT (0.77) GAATDP1ALDH1A1KDM4EHPGD
SCHEMBL23761193 0.86 GAA (0.65) GAATDP1ALDH1A1KDM4EHPGD
SCHEMBL9106681 0.86 GAA (1.00) GAATDP1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010579-A1 Copper salts of organic acids and use thereof as fungicides ISARGO S.P.A. (IT) 2007-01-11 US claimed
EP-0848947-A1 Compositions containing a derivative of dibenzoylmethane, a derivative of 1,3,4-triazine and an dialkly benyalmalonate L'OREAL (FR) 1998-06-24 EP claimed
WO-2011085445-A1 FLOTATION REAGENTS TEEBEE HOLDINGS PTY LTD (AU) 2011-07-21 WO disclosed
US-20070010579-A1 Copper salts of organic acids and use thereof as fungicides ISARGO S.P.A. (IT) 2007-01-11 US disclosed
EP-0848947-A1 Compositions containing a derivative of dibenzoylmethane, a derivative of 1,3,4-triazine and an dialkly benyalmalonate L'OREAL (FR) 1998-06-24 EP disclosed
US-5444083-A DOPAMINE AGONIST FOR TREATING OR PREVENTION OF HYPERTENSION OR HEART FAILURE EISAI CO., LTD. (JP) 1995-08-22 US disclosed
EP-0584208-A4 1994-03-23 EP disclosed
EP-0584208-A1 PYRROLIDINONES SMITHKLINE BEECHAM CORPORATION (US) 1994-03-02 EP disclosed
WO-1992019594-A1 PYRROLIDINONES SMITHKLINE BEECHAM CORPORATION (US) 1992-11-12 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 (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-20070010579-A1 Copper salts of organic acids and use thereof as fungicides AOC3, AOC2, AOC1 GAA 59/4885TDP1 2559/4885ALDH1A1 34/4885

“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.