SCHEMBL13630692

SCHEMBL13630692

CCC(=O)Oc1ccc(C[C@H](NC(C)=O)C(=O)O)cc1OC(=O)CC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.62
ITGB3 P05106 3/20 0.47
ITGA2B P08514 3/20 0.47
LMNA P02545 1/20 0.47
FPR2 P25090 1/20 0.44
DRD1 P21728 1/20 0.43
LDHA P00338 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ITGB1 P05556 2/20 0.41
ITGA4 P13612 1/20 0.41
TACR1 P25103 2/20 0.41
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
ITGAV P06756 1/20 0.40
ITGB5 P18084 1/20 0.40

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
SCHEMBL25471843 0.89 ITGB3 (0.49) ALOX15ITGB3ITGA2BLMNAFPR2
SCHEMBL8259039 0.86 ALOX15 (0.45) ALOX15ITGB3ITGA2BLMNAFPR2
SCHEMBL13630689 0.83 ALDH1A1 (0.61) ALOX15ITGB3ITGA2BALDH1A1
SCHEMBL10425937 0.83 LDHA (0.56) ALOX15ITGB3ITGA2BLMNAFPR2
SCHEMBL9405347 0.83 LDHA (0.56) ALOX15ITGB3ITGA2BLMNAFPR2
SCHEMBL9819533 0.83 LDHA (0.56) ALOX15ITGB3ITGA2BLMNAFPR2
SCHEMBL7290022 0.83 ITGB3 (0.51) ITGB3ITGA2BLMNAFPR2LDHA
SCHEMBL7290024 0.83 ITGB3 (0.51) ITGB3ITGA2BLMNAFPR2LDHA
SCHEMBL3419160 0.82 LDHA (0.66) ALOX15ITGB3ITGA2BLMNAFPR2
SCHEMBL2516039 0.82 LDHA (0.66) ALOX15ITGB3ITGA2BLMNAFPR2

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-20090285888-A1 DERIVATIVES OF DIHYDROXYPHENYLALANINE ELLNEUROXX LTD. (DE) 2009-11-19 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-20090285888-A1 DERIVATIVES OF DIHYDROXYPHENYLALANINE HTT, NLN, SNCA ALOX15 392/4885ITGB3 3691/4885ITGA2B 3932/4885

“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.