SCHEMBL18109184

SCHEMBL18109184

O=C(O)Cc1cc(/C=C/c2cc(CC(=O)O)cc(CC(=O)O)c2)cc(CC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.46
▸ HPGD P15428 4/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ RGS12 O14924 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ GNAI1 P63096 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CAMK2A Q9UQM7 1/20 0.43

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
SCHEMBL2520048 0.90 CA2 (0.50) AKR1B1HPGDHSD17B10KDM4EMAPT
SCHEMBL2519142 0.87 CA2 (0.57) AKR1B1HPGDHSD17B10KDM4EMAPT
SCHEMBL583915 0.84 AKR1B1 (0.60) AKR1B1HPGDHSD17B10KDM4EMAPT
SCHEMBL16888910 0.80 CA2 (0.54) AKR1B1HPGDHSD17B10KDM4EMAPT
SCHEMBL2521051 0.80 CA2 (0.58) AKR1B1HPGDHSD17B10KDM4EMAPT
SCHEMBL2516306 0.80 CA2 (0.53) AKR1B1HPGDHSD17B10KDM4EMAPT
SCHEMBL4397024 0.79 AKR1B1 (0.56) AKR1B1HPGDHSD17B10KDM4EMAPT
SCHEMBL4397023 0.79 AKR1B1 (0.56) AKR1B1HPGDHSD17B10KDM4EMAPT
SCHEMBL1286171 0.78 AKR1B1 (0.48) AKR1B1HPGDHSD17B10KDM4EMAPT
SCHEMBL14511356 0.77 AKR1B1 (0.52) AKR1B1HPGDHSD17B10KDM4EMAPT

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-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-10-06 — — 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-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 AKR1B1 1341/4885HPGD 2836/4885HSD17B10 930/4885

“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.

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