SCHEMBL10074916

SCHEMBL10074916

CCCCC[C@H](CCCC)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.53
CASP3 P42574 1/20 0.49
KMT2A Q03164 2/20 0.49
EPHX2 P34913 1/20 0.46

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
SCHEMBL17193149 0.94 TLR2 (0.52) TLR2CASP3KMT2AEPHX2
SCHEMBL12917711 0.93 TLR2 (0.54) TLR2CASP3KMT2AEPHX2
SCHEMBL12072047 0.93 TLR2 (0.54) TLR2CASP3KMT2AEPHX2
SCHEMBL13058948 0.93 TLR2 (0.49) TLR2CASP3KMT2AEPHX2
SCHEMBL13652764 0.92 TLR2 (0.49) TLR2CASP3KMT2AEPHX2
SCHEMBL9755158 0.91 KMT2A (0.62) TLR2CASP3KMT2A
SCHEMBL27577299 0.90 KMT2A (0.53) TLR2CASP3KMT2AEPHX2
SCHEMBL30353581 0.90 CASP3 (0.55) TLR2CASP3KMT2A
SCHEMBL28413990 0.90 CASP3 (0.55) TLR2CASP3KMT2A
SCHEMBL28413987 0.89 TLR2 (0.51) TLR2CASP3KMT2A

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-20120101257-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS UNIVERSITE DE MONTREAL (CA) 2012-04-26 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-20120101257-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS QPCT, GLUL, ASNS TLR2 4462/4885CASP3 4203/4885KMT2A 4277/4885

“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.