SCHEMBL686783

SCHEMBL686783

CCC(=O)C[C@H](NC(=O)CC)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 4/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 5/20 0.49
HTT P42858 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RIPK1 Q13546 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
SLC6A9 P48067 1/20 0.44
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6857593 0.90 SMN1; SMN2 (0.64) SMN1; SMN2LMNAPOLBALDH1A1HTT
SCHEMBL14535420 0.84 ALDH1A1 (0.59) SMN1; SMN2LMNAPOLBALDH1A1HTT
SCHEMBL14701528 0.84 ALDH1A1 (0.59) SMN1; SMN2LMNAPOLBALDH1A1HTT
SCHEMBL8915928 0.84 SMN1; SMN2 (0.43) SMN1; SMN2LMNAPOLBALDH1A1KMT2A
SCHEMBL13188052 0.84 SMN1; SMN2 (0.43) SMN1; SMN2LMNAPOLBALDH1A1KMT2A
SCHEMBL8917409 0.84 SMN1; SMN2 (0.43) SMN1; SMN2LMNAPOLBALDH1A1KMT2A
SCHEMBL24932572 0.83 ALDH1A1 (0.54) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL14224491 0.83 RIPK1 (0.62) SMN1; SMN2LMNAPOLBALDH1A1HTT
SCHEMBL14224547 0.83 RIPK1 (0.62) SMN1; SMN2LMNAPOLBALDH1A1HTT
SCHEMBL8558646 0.83 RIPK1 (0.55) SMN1; SMN2LMNAPOLBALDH1A1HTT

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-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2011-11-03 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-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 SMN1; SMN2 2103/4885LMNA 900/4885POLB 3185/4885

“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.