SCHEMBL4291986

SCHEMBL4291986

N[C@@H](CCCCNC(=O)CCC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.47
LTA4H P09960 2/20 0.46
OTC P00480 1/20 0.46
CXCR3 P49682 1/20 0.44
TDP1 Q9NUW8 4/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.44
HDAC1 Q13547 1/20 0.43
SLC1A1 P43005 2/20 0.43
NOD1 Q9Y239 1/20 0.43
LMNA P02545 1/20 0.42
NR4A2 P43354 1/20 0.42
SLC1A2 P43004 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
SCHEMBL3862935 0.91 ALDH1A1 (0.50) ALDH1A1L3MBTL1LTA4HCXCR3TDP1
SCHEMBL6014960 0.82 HPGD (0.63) ALDH1A1L3MBTL1KMT2AHDAC1LMNA
SCHEMBL24130547 0.81 HDAC1 (0.58) ALDH1A1TDP1POLBKMT2AHDAC1
SCHEMBL345305 0.81 HDAC1 (0.58) ALDH1A1TDP1POLBKMT2AHDAC1
SCHEMBL1242961 0.81 HDAC1 (0.58) ALDH1A1TDP1POLBKMT2AHDAC1
SCHEMBL2464340 0.81 OTC (0.49) OTCTDP1POLBKMT2AHDAC1
SCHEMBL1009383 0.81 OTC (0.49) OTCTDP1POLBKMT2AHDAC1
SCHEMBL28134771 0.81 TDP1 (0.67) L3MBTL1LTA4HTDP1POLBKMT2A
SCHEMBL2159293 0.81 TDP1 (0.60) ALDH1A1L3MBTL1LTA4HTDP1POLB
SCHEMBL7035941 0.80 POLB (0.48) LTA4HOTCTDP1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176967-A1 Conjugation of FVII NOVO NORDISK HEALTHCARE A/G (CH) 2009-07-09 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-20090176967-A1 Conjugation of FVII F13B, F13A1, FGB ALDH1A1 4528/4885L3MBTL1 1939/4885LTA4H 3008/4885

“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.