SCHEMBL7083294

SCHEMBL7083294

Oc1ccc(Oc2ccccc2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.54
NR1H2 P55055 1/20 0.54
BAX Q07812 1/20 0.54
ESR2 Q92731 1/20 0.52
KMO O15229 1/20 0.49
HSP90AA1 P07900 1/20 0.48
TSHR P16473 2/20 0.48
STK39 Q9UEW8 3/20 0.47
HSD17B10 Q99714 1/20 0.45
AKR1C3 P42330 1/20 0.44
MAOB P27338 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAOA P21397 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RHEB Q15382 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
SCHEMBL258619 0.89 HSP90AA1 (0.57) ESR2KMOHSP90AA1TSHRHSD17B10
SCHEMBL9623378 0.86 ESR1 (0.58) LTA4HNR1H2BAXESR2HSP90AA1
SCHEMBL8653830 0.85 TSHR (0.52) ESR2KMOHSP90AA1TSHRHSD17B10
SCHEMBL11056930 0.85 HSP90AA1 (0.55) LTA4HNR1H2BAXESR2KMO
SCHEMBL1025535 0.84 LTA4H (0.59) LTA4HNR1H2BAXESR2KMO
SCHEMBL9445013 0.83 HSP90AA1 (0.68) ESR2KMOHSP90AA1TSHRHSD17B10
SCHEMBL9592684 0.83 KMO (0.45) ESR2KMOHSP90AA1TSHRHSD17B10
SCHEMBL13048707 0.82 HSP90AA1 (0.47) HSP90AA1TSHRHSD17B10CA1CA2
SCHEMBL10704059 0.82 CA1 (0.61) HSP90AA1TSHRHSD17B10MAOBCA1
SCHEMBL8652143 0.82 HSP90AA1 (0.47) HSP90AA1TSHRHSD17B10CA1CA2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073469-B Preparation and application of pyrrolopyrimidine compound as kinase inhibitor 药雅科技(上海)有限公司 2023-12-22 CN disclosed
CN-115073468-B Preparation and application of imidazopyrazines BTK inhibitor 药雅科技(上海)有限公司 2023-12-22 CN disclosed
CN-115073468-A Preparation and application of imidazopyrazine BTK inhibitor 药雅科技(上海)有限公司 2022-09-20 CN disclosed
CN-115073469-A Preparation and application of pyrrolopyrimidine compound as kinase inhibitor 药雅科技(上海)有限公司 2022-09-20 CN disclosed
US-6645997-B2 Agonists of peroxisome proliferator activated receptor (PPAR) alpha and/or gamma MERCK & CO., INC. 2003-11-11 US disclosed
EP-1324995-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS Merck & Co., Inc. (US) 2003-07-09 EP disclosed
US-20020082292-A1 Benzopyrancarboxylic acid derivatives for the treatment of diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2002-06-27 US disclosed
WO-2002026729-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS MERCK & CO., INC. (US) 2002-04-04 WO disclosed
US-5663453-A CHEMICAL INTERMEDIATES FOR OVICIDES FOR INSECTS CIBA-GEIBY CORPORATION (US) 1997-09-02 US disclosed
EP-0559612-B1 Dioxolane derivatives as pesticides CIBA GEIGY AG (CH) 1996-08-14 EP disclosed
US-5151428-A Insecticides and animal growth regulators SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-09-29 US disclosed
EP-0458361-A1 Pyridine derivatives, their production processes and their compositions for the control of insect pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-11-27 EP disclosed
EP-0118377-B1 PROCESS FOR THE PRODUCTION OF METACHLORINATED PHENOLS RHONE-POULENC CHIMIE (FR) 1988-03-09 EP disclosed
EP-0118377-A2 Process for the production of metachlorinated phenols RHONE-POULENC CHIMIE (FR) 1984-09-12 EP disclosed
EP-0055196-B1 PROCESS FOR THE SYNTHESIS OF METACHLOROPHENOLS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-04-18 EP disclosed
EP-0055198-B1 PROCESS FOR THE SYNTHESIS OF METACHLOROPHENOLS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-04-04 EP disclosed
EP-0055197-B1 PROCESS FOR THE SYNTHESIS OF METACHLOROPHENOLS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-04-04 EP disclosed
EP-0055196-A1 Process for the synthesis of metachlorophenols RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-06-30 EP disclosed
EP-0055197-A1 Process for the synthesis of metachlorophenols RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-06-30 EP disclosed
EP-0055198-A1 Process for the synthesis of metachlorophenols RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-06-30 EP 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-20020082292-A1 Benzopyrancarboxylic acid derivatives for the treatment of diabetes and lipid disorders PPARD, PPARA, PPARG LTA4H 2065/4885NR1H2 84/4885BAX 738/4885

“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.