SCHEMBL31370342

SCHEMBL31370342

C=CCCCC[C@@H](NC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ABCC4 O15439 1/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 3/20 0.40
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
SLC6A5 Q9Y345 1/20 0.38
RECQL P46063 1/20 0.37
TSHR P16473 1/20 0.34
DDAH1 O94760 1/20 0.34
FOLH1 Q04609 3/20 0.33
GNPAT O15228 2/20 0.33
NOD1 Q9Y239 1/20 0.33

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
SCHEMBL12513863 0.98 MAPT (0.46) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL1271960 0.94 MAPT (0.39) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL10288381 0.94 MAPT (0.39) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL31369710 0.86 TGFBR1 (0.37) MAPTABCC4ALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL2982200 0.85 TGFBR1 (0.36) MAPTABCC4ALDH1A1LMNASMN1; SMN2
SCHEMBL13494825 0.84 ALDH1A1 (0.41) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL13494850 0.82 ALDH1A1 (0.43) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL17400530 0.81 MAPT (0.47) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL3777018 0.81 GNPAT (0.49) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL12794390 0.81 ALDH1A1 (0.50) MAPTABCC4ALDH1A1LMNAUSP2

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 MAPT 1809/4885ABCC4 4318/4885ALDH1A1 4472/4885

“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.