SCHEMBL5033585

SCHEMBL5033585

NC(CCCCC(=O)OCc1ccccc1)(C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
EPHX2 P34913 1/20 0.41
LMNA P02545 2/20 0.40
CASP1 P29466 1/20 0.40
SLC15A1 P46059 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39

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
Ammonia Solution, Strong SCHEMBL27678454 0.88 ALDH1A1 (0.40) ALDH1A1MAPK1L3MBTL1SMN1; SMN2HIF1A
Ammonia Solution, Strong SCHEMBL27691289 0.88 ALDH1A1 (0.38) ALDH1A1MAPK1L3MBTL1SMN1; SMN2HIF1A
SCHEMBL1167642 0.86 SMN1; SMN2 (0.46) ALDH1A1MAPK1L3MBTL1SMN1; SMN2HIF1A
SCHEMBL5711297 0.86 GRM2 (0.48) ALDH1A1MAPK1L3MBTL1SMN1; SMN2HIF1A
SCHEMBL1167641 0.86 SMN1; SMN2 (0.46) ALDH1A1MAPK1L3MBTL1SMN1; SMN2HIF1A
SCHEMBL7248792 0.86 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1EPHX2LMNA
SCHEMBL27494515 0.85 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1EPHX2LMNA
SCHEMBL27495686 0.85 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1EPHX2LMNA
SCHEMBL27494516 0.85 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1EPHX2LMNA
SCHEMBL10855143 0.85 SMN1; SMN2 (0.47) ALDH1A1MAPK1L3MBTL1SMN1; SMN2HIF1A

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-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM EPIX PHARMACEUTICALS, INC. 2008-09-04 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-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PGF, F13A1, F11 ALDH1A1 4573/4885MAPK1 179/4885L3MBTL1 3482/4885

“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.