SCHEMBL672587

SCHEMBL672587

COc1cc(C(=O)OCC(O)CO)cc(OC)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
KMT2A Q03164 1/20 0.58
PTPN1 P18031 2/20 0.56
XDH P47989 1/20 0.49
LMNA P02545 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
HSD17B2 P37059 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
SCHEMBL13183860 0.88 TSHR (0.54) PKMKDM4EKMT2APTPN1LMNA
SCHEMBL18585921 0.87 PKM (0.57) PKMKDM4EALDH1A1GAAKMT2A
SCHEMBL18585301 0.84 HSD17B2 (0.65) KDM4EKMT2APTPN1HSD17B2CYP1A2
SCHEMBL18585456 0.84 PKM (0.55) PKMKDM4EALDH1A1GAAKMT2A
SCHEMBL18585804 0.84 PKM (0.55) PKMKDM4EALDH1A1GAAKMT2A
SCHEMBL18585717 0.83 PKM (0.53) PKMKDM4EALDH1A1GAAKMT2A
SCHEMBL22509324 0.82 SERPINE1 (0.46) KDM4EALDH1A1KMT2ALMNASERPINE1
SCHEMBL1392652 0.81 SERPINE1 (0.65) KDM4EGAAPTPN1XDHLMNA
SCHEMBL24210342 0.79 ADRB2 (0.46) ALDH1A1PTPN1CA12CA1CA2
SCHEMBL13286784 0.79 PKM (0.76) PKMKDM4EALDH1A1GAAKMT2A

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-20180243309-A1 TOPICAL ANTIVIRAL COMPOSITIONS TOPICAL REMEDY LLC (US) 2018-08-30 US disclosed
EP-3344265-A1 TOPICAL ANTIVIRAL COMPOSITIONS Topical Remedy, LLC (US) 2018-07-11 EP disclosed
WO-2017040844-A1 TOPICAL ANTIVIRAL COMPOSITIONS TOPICAL REMEDY, LLC (US) 2017-03-09 WO disclosed
US-20130267474-A1 NOVEL PHYTOCHEMICALS FROM EXTRACTS OF MAPLE SYRUPS AND MAPLE TREES AND USES THEREOF UNIVERSITY OF RHODE ISLAND (US) 2013-10-10 US disclosed
WO-2012021981-A1 NOVEL PHYTOCHEMICALS FROM EXTRACTS OF MAPLE SYRUPS AND MAPLE TREES AND USES THEREOF FÉDÉRATION DES PRODUCTEURS ACÉRICOLES DU QUÉBEC (CA) 2012-02-23 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-20130267474-A1 NOVEL PHYTOCHEMICALS FROM EXTRACTS OF MAPLE SYRUPS AND MAPLE TREES AND USES THEREOF BPHL, OAT, PSAT1 PKM 761/4885KDM4E 3705/4885ALDH1A1 1582/4885

“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.