SCHEMBL5324416

SCHEMBL5324416

C[C@H](Nc1cc(O)ccc1O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
CA12 O43570 6/20 0.41
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA7 P43166 6/20 0.41
CA9 Q16790 6/20 0.41
CA14 Q9ULX7 6/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL5324420 1.00 ALDH1A1 (0.41) ALDH1A1CA12CA1CA2CA7
SCHEMBL5323886 0.86 ALDH1A1 (0.44) ALDH1A1CA12CA1CA2CA7
SCHEMBL5323888 0.86 ALDH1A1 (0.44) ALDH1A1CA12CA1CA2CA7
SCHEMBL18509160 0.81 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL7278867 0.79 ALDH1A1 (0.41) ALDH1A1CA12CA1CA2CA9
SCHEMBL2021221 0.79 ALDH1A1 (0.41) ALDH1A1CA12CA1CA2CA9
SCHEMBL5323369 0.78 HPGD (0.49) ALDH1A1MAPTKDM4EMEN1TP53
SCHEMBL5323373 0.78 HPGD (0.49) ALDH1A1MAPTKDM4EMEN1TP53
SCHEMBL11186123 0.78 SMN1; SMN2 (0.59) ALDH1A1MAPTMEN1TP53HPGD
SCHEMBL28795075 0.76 ALDH1A1 (0.42) ALDH1A1CA12CA1CA2CA9

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-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 US disclosed
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 WO 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-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 ALDH1A1 4879/4885CA12 1688/4885CA1 3341/4885

“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.