SCHEMBL3782978

SCHEMBL3782978

CC(=O)C(Oc1ccc(Cl)cc1)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.47
PPARG P37231 10/20 0.47
BRD4 O60885 1/20 0.47
LDHA P00338 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43

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
SCHEMBL9774578 0.90 LDHA (0.52) PPARAPPARGLDHACYP1A2CYP2C19
SCHEMBL9379541 0.84 ALDH1A1 (0.49) PPARAPPARGCYP1A2CYP3A4KMT2A
SCHEMBL5846357 0.82 RAB9A (0.46) LDHACYP2C9HPGDMEN1CYP2D6
SCHEMBL6619368 0.82 CYP1A2 (0.57) PPARAPPARGBRD4CYP1A2CYP2C19
SCHEMBL5711742 0.81 LDHA (0.64) PPARAPPARGLDHA
SCHEMBL508371 0.79 TPMT (0.37) BRD4LDHAMEN1CYP2D6MAPT
SCHEMBL5711753 0.77 PPARA (0.53) PPARAPPARGCYP1A2CYP3A4KMT2A
SCHEMBL8124439 0.77 PPARA (0.54) PPARAPPARGCYP1A2CYP2C19CYP2C9
SCHEMBL4059562 0.75 CA1 (0.60) MEN1MAPTKMT2ALMNAGAA
SCHEMBL28492939 0.75 CYP1A2 (0.46) PPARAPPARGCYP1A2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928457-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-12-12 EP disclosed
US-7858640-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-28 US disclosed
US-20090156600-A1 Quinolines and Their Therapeutic Use GB005, INC. 2009-06-18 US disclosed
EP-1928457-A2 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Discovery Limited (GB) 2008-06-11 EP disclosed
WO-2007036743-A2 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2007-04-05 WO disclosed
US-20050119246-A1 2-(4-{[1-(2,2-dimethylpropanoyl)-4-piperidinyl]methyl}-3,5-dimethyl-1H-pyrazol-1-yl)-1-methylethylcarbamate; appetite suppressants; obesity, diabetes, feeding behavior, bulimia, anorexia nervosa and premenstrual tension; side effect reduction BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-02 US disclosed
EP-1465871-A1 PYRAZOLE DERIVATIVES FOR USE IN DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR Bayer Corporation (US) 2004-10-13 EP disclosed
WO-2003057673-A1 1H-PYRAZOLYL DERIVATIVE COMPOUNDS, FOR USE IN DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-17 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-20090156600-A1 Quinolines and Their Therapeutic Use NR3C1, NR3C2, NR1H3 PPARA 718/4885PPARG 522/4885BRD4 808/4885
US-20050119246-A1 2-(4-{[1-(2,2-dimethylpropanoyl)-4-piperidinyl]methyl}-3,5-dimethyl-1H-pyrazol-1-yl)-1-methylethylcarbamate; appetite suppressants; obesity, diabetes, feeding behavior, bulimia, anorexia nervosa and premenstrual tension; side effect reduction HTR2C, GPR119, HTR2B PPARA 659/4885PPARG 527/4885BRD4 605/4885

“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.