SCHEMBL31370544

SCHEMBL31370544

Nc1ccc(CCNCC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
HIF1A Q16665 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.49
GFER P55789 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
MAOB P27338 3/20 0.45
MAOA P21397 2/20 0.45
ESRRG P62508 1/20 0.45
PRMT1 Q99873 1/20 0.42

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
SCHEMBL25004248 0.85 GFER (0.46) CA1CA2HIF1AKDM4EGFER
SCHEMBL31688715 0.83 ALDH1A1 (0.52) CA1CA2KDM4ETAAR1
SCHEMBL288827 0.83 KDM4E (0.55) CA1CA2KDM4E
SCHEMBL157742 0.82 KEAP1 (0.59) CA2KDM4EMAPTTAAR1
SCHEMBL16034258 0.81 KDM4E (0.61) CA1CA2KDM4ETAAR1
SCHEMBL27598606 0.81 FFAR1 (0.53) CA1CA2
SCHEMBL31688904 0.81 CA1 (0.49) CA1CA2MAPT
SCHEMBL31331887 0.81 TAAR1 (0.50) CA1CA2TAAR1
SCHEMBL7327740 0.81 L3MBTL1 (0.54) CA1CA2KDM4E
SCHEMBL8780612 0.81 LMNA (0.55) CA1CA2MAPTGFERTAAR1

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 CA1 3825/4885CA2 3956/4885HIF1A 3000/4885

“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.