SCHEMBL10149459

SCHEMBL10149459

Cc1ccc(/C=C/C(=O)O)cc1CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 5/20 0.52
▸ AKR1B10 O60218 4/20 0.52
▸ AKR1B1 P15121 4/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.51
▸ KDM4E B2RXH2 7/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA3 P07451 3/20 0.50
▸ CA4 P22748 3/20 0.50
▸ CA6 P23280 3/20 0.50
▸ CA5A P35218 3/20 0.50
▸ CA7 P43166 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ CA14 Q9ULX7 3/20 0.50
▸ CA5B Q9Y2D0 3/20 0.50
▸ HPGD P15428 2/20 0.50

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
SCHEMBL2705920 0.87 EGFR (0.51) AKR1C3AKR1B10AKR1B1ALDH1A1NPSR1
SCHEMBL2705918 0.87 EGFR (0.51) AKR1C3AKR1B10AKR1B1ALDH1A1NPSR1
SCHEMBL10898081 0.84 EGFR (0.56) AKR1C3AKR1B10AKR1B1ALDH1A1NPSR1
SCHEMBL10898075 0.84 EGFR (0.56) AKR1C3AKR1B10AKR1B1ALDH1A1NPSR1
SCHEMBL16832048 0.83 TTR (0.56) AKR1C3AKR1B1ALDH1A1NPSR1KDM4E
SCHEMBL16832047 0.83 TTR (0.56) AKR1C3AKR1B1ALDH1A1NPSR1KDM4E
SCHEMBL12555874 0.81 AKR1C3 (0.66) AKR1C3AKR1B10AKR1B1ALDH1A1KDM4E
SCHEMBL2601403 0.81 AKR1C3 (0.66) AKR1C3AKR1B10AKR1B1ALDH1A1KDM4E
SCHEMBL29395741 0.81 AKR1C3 (0.66) AKR1C3AKR1B10AKR1B1ALDH1A1KDM4E
SCHEMBL111230 0.80 KDM4E (0.58) AKR1C3AKR1B10AKR1B1ALDH1A1NPSR1

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 3 patents. 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
US-8466291-B2 1,5-dideoxy-1,5-imino-D-glucitol compounds ACADEMIA SINICA (TW) 2013-06-18 — — US disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 — — 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 (2 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 AKR1C3 1493/4885AKR1B10 1477/4885AKR1B1 1341/4885
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 AKR1C3 1493/4885AKR1B10 1477/4885AKR1B1 1341/4885

“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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