SCHEMBL6207040

SCHEMBL6207040

COCCC(O)CNCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
EGLN1 Q9GZT9 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
FAAH O00519 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
FFAR1 O14842 1/20 0.31
POLB P06746 1/20 0.31

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
Hydrochloric Acid SCHEMBL6802704 0.98 ALDH1A1 (0.37) ALDH1A1EGLN1CYP3A4CYP2D6CYP1A2
SCHEMBL6796958 0.85 MAPT (0.44) ALDH1A1EGLN1CYP3A4CYP2D6CYP1A2
SCHEMBL6797275 0.85 MAPT (0.44) ALDH1A1EGLN1CYP3A4CYP2D6CYP1A2
SCHEMBL6796962 0.85 MAPT (0.44) ALDH1A1EGLN1CYP3A4CYP2D6CYP1A2
SCHEMBL5014969 0.77 SLC22A6 (0.41) ALDH1A1EGLN1CYP1A2ADRB2ADRB1
SCHEMBL8982365 0.77 CYP2C19 (0.45) ALDH1A1CYP3A4CYP2D6CYP1A2MAPT
SCHEMBL986003 0.76 PTPN1 (0.40) FAAHFFAR4FFAR1
SCHEMBL6695805 0.75 GABRR1 (0.37) ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL9169806 0.74 SLC22A6 (0.52) ALDH1A1MAPT
SCHEMBL2553608 0.74 MME (0.37) ALDH1A1EGLN1CYP2D6FAAHMAPT

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
EP-1315720-B1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA (DE) 2005-07-06 EP disclosed
US-6740651-B2 TREATING PARTICULARLY TUMORAL DISEASES, DISEASES OF THE LUNGS AND RESPIRATORY TRACT. BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-05-25 US disclosed
EP-1315720-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2003-06-04 EP disclosed
US-20020115675-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-22 US disclosed
WO-2002018376-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 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-20020115675-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K20, MAP3K19 ALDH1A1 2059/4885EGLN1 982/4885CYP3A4 2680/4885

“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.