SCHEMBL4908232

SCHEMBL4908232

CCCCCC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.59
PAM P19021 2/20 0.53
TSHR P16473 3/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 4/20 0.49
ALDH1A1 P00352 2/20 0.49
DNM1 Q05193 1/20 0.49
KDM4E B2RXH2 1/20 0.47
DUSP3 P51452 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PRKCA P17252 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCD Q05655 1/20 0.45
CYP3A4 P08684 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL9876160 0.98 DGKA (0.62) DGKAPAMTSHRMAPTLMNA
SCHEMBL9400196 0.98 DGKA (0.62) DGKAPAMTSHRMAPTLMNA
SCHEMBL3216532 0.98 DGKA (0.62) DGKAPAMTSHRMAPTLMNA
SCHEMBL8945616 0.98 DGKA (0.62) DGKAPAMTSHRMAPTLMNA
SCHEMBL8945733 0.98 DGKA (0.62) DGKAPAMTSHRMAPTLMNA
SCHEMBL9095809 0.94 DGKA (0.50) DGKAPAMTSHRMAPTLMNA
SCHEMBL508579 0.89 DGKA (0.41) DGKAPAMTSHRMAPTLMNA
SCHEMBL733969 0.85 ALDH1A1 (0.48) DGKAPAMTSHRMAPTLMNA
SCHEMBL10105403 0.85 TSHR (0.40) DGKAPAMTSHRMAPTLMNA
SCHEMBL355770 0.83 DGKA (0.63) DGKAPAMTSHRMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154008-A1 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2005-07-14 US claimed
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines CAI GUOLIN (US) 2002-03-21 US claimed
JP-11098999-A None JP disclosed
CN-107106700-B Peptidomimetic compounds and antibody-drug conjugates thereof 基因泰克公司 2020-10-30 CN disclosed
CN-107106700-A Peptide simulated compound and its antibody drug conjugate 基因泰克公司 2017-08-29 CN disclosed
US-7371752-B2 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION (US) 2008-05-13 US disclosed
US-20050154008-A1 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2005-07-14 US disclosed
US-6828329-B2 Agonists, antagonists for gamma-aminobutyric acid brain receptors useful in diagnosis and treatment of anxiety depressionm, down syndrome, sleep and seizure disorders NEUROGEN CORPORATION 2004-12-07 US disclosed
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines CAI GUOLIN (US) 2002-03-21 US disclosed
JP-2000189187-A PRODUCTION OF OPTICALLY ACTIVE 1,1,1-TRIFLUORO-2-ALKANOL CHISSO CORP 2000-07-11 JP disclosed
US-5973214-A Method for producing an optically active 2-alkanol CHISSO CORPORATION (JP) 1999-10-26 US disclosed
EP-0908522-A1 A method for producing an optically active 2-alkanol CHISSO CORPORATION (JP) 1999-04-14 EP disclosed
JP-H1198999-A PRODUCTION OF OPTICALLY ACTIVE 2-ALKANOL CHISSO CORP 1999-04-13 JP 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-20050154008-A1 Aryl fused substituted 4-oxy-pyridines CHRNA7, CHRNA4, GABRA6 DGKA 2295/4885PAM 1392/4885TSHR 578/4885
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines GABRA4, GABRA6, GABRG2 DGKA 2174/4885PAM 1387/4885TSHR 634/4885

“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.