SCHEMBL18100212

SCHEMBL18100212

COC(=O)/C=C/c1ccc(O)c(CO)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.69
▸ TTR P02766 2/20 0.69
▸ MMP2 P08253 3/20 0.69
▸ MMP9 P14780 3/20 0.69
▸ MMP8 P22894 2/20 0.69
▸ NFKB1 P19838 2/20 0.69
▸ PTPN1 P18031 1/20 0.66
▸ EPHX2 P34913 1/20 0.64
▸ MMP13 P45452 2/20 0.57
▸ CA12 O43570 2/20 0.57
▸ CA1 P00915 2/20 0.57
▸ CA2 P00918 2/20 0.57
▸ TYR P14679 2/20 0.57
▸ CA7 P43166 2/20 0.57
▸ CA9 Q16790 2/20 0.57
▸ CA14 Q9ULX7 2/20 0.57
▸ ALDH1A1 P00352 5/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ MAPT P10636 5/20 0.52
▸ CYP2C9 P11712 3/20 0.52

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
SCHEMBL15298268 0.88 TTR (0.59) APPTTRMMP2MMP9MMP8
SCHEMBL14898162 0.85 TTR (0.74) APPTTRMMP2MMP9MMP8
SCHEMBL16832047 0.85 TTR (0.56) APPTTRMMP2MMP9MMP8
SCHEMBL16831805 0.85 TTR (0.56) APPTTRMMP2MMP9MMP8
SCHEMBL16831807 0.85 TTR (0.56) APPTTRMMP2MMP9MMP8
SCHEMBL16832048 0.85 TTR (0.56) APPTTRMMP2MMP9MMP8
SCHEMBL13663908 0.84 MMP9 (0.76) APPMMP2MMP9MMP8NFKB1
Plicatin B SCHEMBL1227605 0.83 AKR1C3 (0.73) APPTTRMMP2NFKB1PTPN1
SCHEMBL28553083 0.83 APP (0.62) APPTTRMMP2MMP9MMP8
SCHEMBL12593153 0.83 IAPP (0.67) APPTTRMMP2MMP9MMP8

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-20170042865-A1 THERAPEUTIC COMPOSITIONS CONTAINING CURCUMIN, HARMINE, AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2017-02-16 — — US disclosed
US-20160279084-A1 TARGETED TREATMENT OF ANEROBIC CANCER UNIVERSITY HOSPITALS CLEVELAND MEDICAL CENTER 2016-09-29 — — 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-20170042865-A1 THERAPEUTIC COMPOSITIONS CONTAINING CURCUMIN, HARMINE, AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, CPT1A APP 653/4885TTR 1566/4885MMP2 586/4885
US-20160279084-A1 TARGETED TREATMENT OF ANEROBIC CANCER SLC16A3, SLC16A1, SLC16A7 APP 4806/4885TTR 1929/4885MMP2 895/4885

“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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