SCHEMBL14898191

SCHEMBL14898191

NC(=O)c1cc(/C=C/C(=O)O)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.66
▸ PTPN1 P18031 4/20 0.66
▸ HSD17B10 Q99714 3/20 0.66
▸ CA12 O43570 3/20 0.66
▸ CA1 P00915 3/20 0.66
▸ CA2 P00918 3/20 0.66
▸ CA3 P07451 3/20 0.66
▸ CA4 P22748 3/20 0.66
▸ CA6 P23280 3/20 0.66
▸ CA5A P35218 3/20 0.66
▸ CA7 P43166 3/20 0.66
▸ CA9 Q16790 3/20 0.66
▸ CA14 Q9ULX7 3/20 0.66
▸ CA5B Q9Y2D0 3/20 0.66
▸ AKR1B10 O60218 3/20 0.66
▸ AKR1B1 P15121 3/20 0.66
▸ MAPK1 P28482 3/20 0.66
▸ DPP4 P27487 2/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ HPGD P15428 2/20 0.66

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
SCHEMBL14898184 0.86 KDM4E (0.66) KDM4EPTPN1HSD17B10CA12CA1
SCHEMBL10892522 0.86 PTPN1 (0.76) KDM4EPTPN1HSD17B10CA12CA1
SCHEMBL9688131 0.86 PTPN1 (0.76) KDM4EPTPN1HSD17B10CA12CA1
SCHEMBL15780784 0.85 PTGS1 (0.67) KDM4EPTPN1HSD17B10CA12CA1
SCHEMBL1603721 0.81 PTPN1 (0.62) KDM4EPTPN1HSD17B10CA12CA1
SCHEMBL1603718 0.81 PTPN1 (0.62) KDM4EPTPN1HSD17B10CA12CA1
SCHEMBL11588431 0.80 MAPT (0.77) KDM4EPTPN1HSD17B10CA12CA1
Caffeic Acid SCHEMBL3682144 0.80 KDM4E (1.00) KDM4EPTPN1HSD17B10CA12CA1
Caffeic Acid SCHEMBL21114743 0.80 KDM4E (1.00) KDM4EPTPN1HSD17B10CA12CA1
Caffeic Acid SCHEMBL23358 0.80 KDM4E (1.00) KDM4EPTPN1HSD17B10CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2020-11-12 — — US disclosed
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-07-10 — — US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 — — US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 — — US disclosed
WO-2013058824-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2013-04-25 — — 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 (3 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-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM TNFSF11, CD14, TNFRSF1A KDM4E 4722/4885PTPN1 4538/4885HSD17B10 2940/4885
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 KDM4E 4611/4885PTPN1 2829/4885HSD17B10 4404/4885
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 KDM4E 4611/4885PTPN1 2829/4885HSD17B10 4404/4885

“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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