SCHEMBL31369649

SCHEMBL31369649

O=C(O)CC[C@H]1CCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
EPHX2 P34913 1/20 0.43
CASP3 P42574 3/20 0.41
MDM4 O15151 2/20 0.40
TP53 P04637 2/20 0.40
FABP7 O15540 2/20 0.40
FABP5 Q01469 2/20 0.40
CPB1 P15086 1/20 0.38
OPRD1 P41143 1/20 0.38

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
SCHEMBL31370345 1.00 KMT2A (0.53) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL31370443 1.00 KMT2A (0.53) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL31370149 1.00 KMT2A (0.53) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL31369639 0.98 KMT2A (0.53) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL31369977 0.98 KMT2A (0.53) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL10169075 0.89 KMT2A (0.49) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL6356022 0.89 KMT2A (0.49) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL10169311 0.86 KMT2A (0.49) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL6348276 0.86 KMT2A (0.49) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL14368653 0.84 KMT2A (0.49) KMT2AEPHX2CASP3MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 KMT2A 3415/4885EPHX2 4829/4885CASP3 4451/4885

“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.