SCHEMBL31369909

SCHEMBL31369909

COCCCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ FABP5 Q01469 3/20 0.42
▸ FABP7 O15540 2/20 0.41
▸ CASP3 P42574 2/20 0.39
▸ EPHX2 P34913 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ MLNR O43193 1/20 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
SCHEMBL30792916 0.93 FABP5 (0.44) MAPK1KMT2AFABP5FABP7CASP3
SCHEMBL27028685 0.93 FABP5 (0.44) MAPK1KMT2AFABP5FABP7CASP3
SCHEMBL28694916 0.90 KMT2A (0.51) MAPK1KMT2AFABP5FABP7CASP3
SCHEMBL30278715 0.88 KMT2A (0.46) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL13797712 0.88 KMT2A (0.46) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL30854406 0.88 KMT2A (0.46) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL31369526 0.88 KMT2A (0.42) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL21837602 0.87 KMT2A (0.45) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL30861839 0.87 KMT2A (0.45) KMT2AFABP5FABP7CASP3EPHX2
Hydrochloric Acid SCHEMBL31369438 0.86 KMT2A (0.44) KMT2AFABP5FABP7CASP3EPHX2

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 MAPK1 3478/4885KMT2A 3415/4885FABP5 424/4885

“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.

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