SCHEMBL31369722

SCHEMBL31369722

COc1ccccc1-c1cccc2c(C[C@H](N)C(=O)O)c[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
MAPT P10636 4/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
TSHR P16473 2/20 0.56
BLM P54132 2/20 0.56
PMP22 Q01453 2/20 0.56
MPO P05164 1/20 0.56
HIF1A Q16665 1/20 0.56
TNF P01375 1/20 0.50
SCN9A Q15858 1/20 0.48
HTR2A P28223 2/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
LTA4H P09960 1/20 0.45
PLA2G2A P14555 1/20 0.45
ALDH1A1 P00352 3/20 0.44

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
SCHEMBL838982 0.89 KDM4E (0.59) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL18029023 0.89 KDM4E (0.59) KDM4EMAPTKMT2AMEN1LMNA
Benzene SCHEMBL28112748 0.89 KDM4E (0.59) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL1461102 0.89 KDM4E (0.59) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL29982303 0.89 KDM4E (0.59) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL4212844 0.85 KDM4E (0.57) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL4212860 0.85 KDM4E (0.57) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL31682240 0.84 KMT2A (0.60) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL31370029 0.84 SCN9A (0.60) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL18028984 0.84 KMT2A (0.63) KDM4EMAPTKMT2AMEN1LMNA

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 KDM4E 3586/4885MAPT 1809/4885KMT2A 3415/4885

“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.