SCHEMBL1679243

SCHEMBL1679243

COc1ccc(C(C)C(=O)O)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.55
AKR1C2 P52895 10/20 0.55
PTGS2 P35354 4/20 0.55
PTGS1 P23219 2/20 0.55
CYP1A2 P05177 2/20 0.55
CDC42 P60953 1/20 0.55
RAC1 P63000 1/20 0.55
TSHR P16473 1/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50
APP P05067 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL2742620 0.85 ALDH1A1 (0.51) PTGS2PTGS1CYP1A2ALDH1A1GAA
SCHEMBL28444749 0.85 ALDH1A1 (0.54) CYP1A2TSHRALDH1A1GAAPKM
SCHEMBL5122373 0.84 ACHE (0.61) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL490776 0.84 ACHE (0.61) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL14032691 0.84 ACHE (0.61) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
Hydrochloric Acid SCHEMBL3225395 0.83 ACHE (0.59) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL137638 0.81 ALDH1A1 (0.47) CYP1A2ALDH1A1GAAPKMCYP2C19
SCHEMBL490724 0.81 AKR1C3 (0.57) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL11082037 0.80 AKR1C3 (0.55) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL2367665 0.80 ALDH1A1 (0.57) AKR1C3AKR1C2PTGS2PTGS1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710071-B2 Compounds, compositions and methods for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-04-29 US disclosed
US-8710071-B2 Compounds, compositions and methods for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-04-29 US disclosed
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2012-01-05 US disclosed
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2012-01-05 US disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 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-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS LIPC, LDLR, PCSK9 AKR1C3 395/4885AKR1C2 435/4885PTGS2 1428/4885
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 AKR1C3 1058/4885AKR1C2 1323/4885PTGS2 1359/4885

“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.