SCHEMBL1022271

SCHEMBL1022271

CCOCc1cc(OC)c(-c2ccc(CC(N)C(=O)OCC)cc2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 9/20 0.51
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.37
SCN9A Q15858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LDHA P00338 1/20 0.36
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36
CNR2 P34972 1/20 0.36
TACR1 P25103 2/20 0.36

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
SCHEMBL1021631 1.00 TPH1 (0.51) TPH1ALDH1A1LMNASCN9ASMN1; SMN2
SCHEMBL21540448 0.93 ALDH1A1 (0.48) TPH1ALDH1A1LDHAITGB1ITGA4
SCHEMBL4315119 0.89 TPH1 (0.49) TPH1LDHA
SCHEMBL21519755 0.89 TPH1 (0.49) TPH1LDHA
SCHEMBL919730 0.88 TPH1 (0.52) TPH1ALDH1A1LMNASCN9ASMN1; SMN2
Hydrochloric Acid SCHEMBL919728 0.87 TPH1 (0.53) TPH1ALDH1A1LMNASCN9ASMN1; SMN2
Hydrochloric Acid SCHEMBL27504082 0.87 TPH1 (0.53) TPH1ALDH1A1LMNASCN9ASMN1; SMN2
SCHEMBL918869 0.86 TPH1 (0.51) TPH1ALDH1A1LMNASCN9ASMN1; SMN2
Hydrochloric Acid SCHEMBL918867 0.85 TPH1 (0.52) TPH1ALDH1A1LMNASCN9ASMN1; SMN2
SCHEMBL3835529 0.83 TPH1 (0.45) TPH1ALDH1A1LMNASCN9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478619-B1 A PROCESS FOR PREPARING A PHENYLALANINE DERIVATIVE AND INTERMEDIATES THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-01-12 EP disclosed
US-7476758-B2 Process for preparing a phenylalanine derivative and intermediates thereof MITSUBISHI TANBE PHARMA CORPORATION (JP) 2009-01-13 US disclosed
US-20050165107-A1 Process for preparing a phenylalanine derivative and intermediates thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-07-28 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-20050165107-A1 Process for preparing a phenylalanine derivative and intermediates thereof ITGB4, ITGA4, ITGA5 TPH1 2434/4885ALDH1A1 477/4885LMNA 2674/4885

“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.