SCHEMBL16136229

SCHEMBL16136229

CCCCOc1ccc(Br)c(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.58
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
PLA2G4B P0C869 2/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
MCL1 Q07820 1/20 0.50
RARA P10276 1/20 0.49
RARB P10826 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL30494432 1.00 PTPN11 (0.58) PTPN11TSHRTP53AKR1C2AKR1C1
SCHEMBL29053389 0.95 PTPN11 (0.65) PTPN11TSHRTP53PLA2G4BTHRA
SCHEMBL29053394 0.88 KDM4E (0.46) PTPN11TSHRAKR1C2AKR1C1PLA2G4B
SCHEMBL4649128 0.87 TSHR (0.60) PTPN11TSHRTP53AKR1C2AKR1C1
SCHEMBL16190196 0.85 PTPN11 (0.59) PTPN11TSHRTP53PLA2G4B
SCHEMBL21543820 0.85 PTPN11 (0.62) PTPN11TSHRTP53PLA2G4BMCL1
SCHEMBL12687133 0.84 MAOA (0.52) PTPN11THRATHRB
SCHEMBL1998151 0.84 ALDH1A1 (0.43) PTPN11TSHRTHRATHRBMCL1
SCHEMBL25155839 0.83 KDM4E (0.58) THRATHRB
SCHEMBL29053414 0.83 MAOB (0.51) PTPN11MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396159-A Synthesis method of 2,2' -biphenyl dicarboxylic acid compound 湖南大学 2023-07-07 CN claimed
CN-116396159-A Synthesis method of 2,2' -biphenyl dicarboxylic acid compound 湖南大学 2023-07-07 CN disclosed
US-9783529-B2 Pyridazinone compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2017-10-10 US disclosed
US-20150005300-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2015-01-01 US disclosed
WO-2014160440-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-10-02 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-20150005300-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, PNPO PTPN11 4385/4885TSHR 3184/4885TP53 4475/4885

“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.