SCHEMBL5954481

SCHEMBL5954481

O=C(O)C1C[C@H]2CCCC[C@@H]2N1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ACE P12821 7/20 0.47
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.44
USP2 O75604 1/20 0.44
AGTR2 P50052 2/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL4616899 1.00 CYP3A4 (0.48) CYP3A4KMT2AALDH1A1KDM4EACE
SCHEMBL4399111 1.00 CYP3A4 (0.48) CYP3A4KMT2AALDH1A1KDM4EACE
SCHEMBL4399114 1.00 CYP3A4 (0.48) CYP3A4KMT2AALDH1A1KDM4EACE
Hydrochloric Acid SCHEMBL5549564 0.99 ACE (0.49) CYP3A4KMT2AALDH1A1KDM4EACE
Hydrochloric Acid SCHEMBL4614963 0.99 ACE (0.49) CYP3A4KMT2AALDH1A1KDM4EACE
Hydrochloric Acid SCHEMBL5593751 0.99 ACE (0.49) CYP3A4KMT2AALDH1A1KDM4EACE
Hydrochloric Acid SCHEMBL5791761 0.99 ACE (0.49) CYP3A4KMT2AALDH1A1KDM4EACE
Hydrochloric Acid SCHEMBL4616123 0.99 ACE (0.49) CYP3A4KMT2AALDH1A1KDM4EACE
Hydrochloric Acid SCHEMBL5793334 0.99 ACE (0.49) CYP3A4KMT2AALDH1A1KDM4EACE
SCHEMBL646159 0.97 CYP3A4 (0.48) CYP3A4KMT2AALDH1A1KDM4EACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079698-A1 Process for the preparation of intermediates of trandolapril and use thereof for the preparation of trandolapril GLENMARK PHARMACEUTICALS LIMITED (IN) 2006-04-13 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-20060079698-A1 Process for the preparation of intermediates of trandolapril and use thereof for the preparation of trandolapril TFPI2, TFPI, TPH2 CYP3A4 41/4885KMT2A 1474/4885ALDH1A1 164/4885

“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.