SCHEMBL6798112

SCHEMBL6798112

C=CCc1cc(OCC(F)(F)F)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.51
GABRB2 P47870 5/20 0.51
POLB P06746 2/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX5 P09917 1/20 0.42
GABRB1 P18505 1/20 0.42
RXRA P19793 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
AKR1B1 P15121 2/20 0.41
CYP2C9 P11712 2/20 0.40

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
SCHEMBL9614914 0.80 GABRA1 (0.56) GABRA1GABRB2POLBALDH1A1MAPT
SCHEMBL1951863 0.79 GABRA1 (0.63) GABRA1GABRB2POLBALDH1A1MAPT
SCHEMBL3390271 0.77 GABRA1 (0.57) GABRA1GABRB2POLBALDH1A1MAPT
SCHEMBL6791017 0.77 CYP2C9 (0.44) ALDH1A1MAPTMEN1KMT2AALOX5
SCHEMBL8416721 0.77 CNR2 (0.53) GABRA1GABRB2POLBALDH1A1MAPT
SCHEMBL8417780 0.76 GABRA1 (0.51) GABRA1GABRB2POLBALDH1A1MAPT
SCHEMBL1400362 0.76 GABRA1 (0.59) GABRA1GABRB2POLBALDH1A1MAPT
SCHEMBL335296 0.76 GABRA1 (0.59) GABRA1GABRB2POLBALDH1A1MAPT
SCHEMBL9614908 0.75 NR5A1 (0.53) GABRA1GABRB2POLBCNR1CNR2
SCHEMBL3919862 0.75 LMNA (0.51) GABRA1GABRB2POLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713508-B2 SUCH AS 7-(3-(3-TRIFLUOROMETHYL-7-PROPYL-6-BENZ-(4,5)-ISOXAZOLOXY)PROPOXY)-2 -ETHYLCHROMANE-2-CARBOXYLIC ACID WHICH ARE POTENT AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MERCK & CO., INC. 2004-03-30 US disclosed
EP-1347755-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS Merck & Co., Inc. (US) 2003-10-01 EP disclosed
WO-2002060434-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS MERCK & CO., INC. (US) 2002-08-08 WO disclosed
US-20020103242-A1 Benzopyrancarboxylic acid derivatives for the treatment of diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2002-08-01 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 (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-20020103242-A1 Benzopyrancarboxylic acid derivatives for the treatment of diabetes and lipid disorders PPARD, PPARA, PPARG GABRA1 160/4885GABRB2 146/4885POLB 1973/4885

“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.