SCHEMBL6796958

SCHEMBL6796958

COC[C@@H](O)CNCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
DPP4 P27487 1/20 0.39
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
PMP22 Q01453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6796962 1.00 MAPT (0.44) MAPTKDM4ECYP1A2ADRB2ADRB1
SCHEMBL6797275 1.00 MAPT (0.44) MAPTKDM4ECYP1A2ADRB2ADRB1
SCHEMBL6207040 0.85 ALDH1A1 (0.38) MAPTCYP1A2ADRB2ADRB1ADRB3
SCHEMBL18053153 0.84 KDM4E (0.41) MAPTKDM4ECYP1A2ADRB2ADRB1
Hydrochloric Acid SCHEMBL6802704 0.83 ALDH1A1 (0.37) MAPTCYP1A2ADRB2ADRB1ADRB3
SCHEMBL18027695 0.81 KDM4E (0.38) MAPTKDM4ECYP1A2ADRB2ADRB1
SCHEMBL5014969 0.80 SLC22A6 (0.41) MAPTCYP1A2ADRB2ADRB1ADRB3
SCHEMBL16582259 0.80 KDM4E (0.52) MAPTKDM4EADRB2ADRB1CYP2D6
SCHEMBL30786011 0.79 ALDH1A1 (0.50) MAPTKDM4ECYP1A2ADRB2ADRB1
SCHEMBL6079267 0.78 MGAM (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6740651-B2 TREATING PARTICULARLY TUMORAL DISEASES, DISEASES OF THE LUNGS AND RESPIRATORY TRACT. BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-05-25 US 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

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 MAPT 4247/4885KDM4E 3299/4885CYP1A2 1649/4885

“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.