SCHEMBL17128796

SCHEMBL17128796

CCCCc1ccccc1-c1cc2ccc(O)cc2c(=O)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
MAPT P10636 2/20 0.41
TYR P14679 1/20 0.40
ALOX15 P16050 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PTPN1 P18031 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B3 P37058 2/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL17128794 0.96 MAPT (0.46) ALDH1A1GAAERAP1MAPTTYR
SCHEMBL17128795 0.95 MAPT (0.48) ALDH1A1GAAERAP1MAPTTYR
SCHEMBL17128793 0.93 HSD17B3 (0.44) ALDH1A1GAAERAP1MAPTALOX15
SCHEMBL17128801 0.89 MEN1 (0.43) ALDH1A1ALOX15MEN1KMT2ATDP1
SCHEMBL17128865 0.87 MEN1 (0.41) ALDH1A1GAAERAP1MAPTMEN1
SCHEMBL20795012 0.86 ALOX5 (0.35) ALDH1A1GAAERAP1MEN1KMT2A
SCHEMBL17128875 0.83 HSD17B3 (0.43) ALDH1A1GAAERAP1ALOX15MEN1
SCHEMBL17128889 0.83 HSD17B3 (0.43) ALDH1A1GAAERAP1MAPTALOX15
SCHEMBL20976926 0.83 ALDH1A1 (0.39) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL17128799 0.82 MEN1 (0.40) ALDH1A1ALOX15MEN1KMT2ATDP1

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
EP-3122735-B1 3-PHENYL-7-HYDROXY-ISOCOUMARINS AS MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) INHIBITORS THE PROVOST FELLOWS FOUND SCHOLARS AND THE OTHER MEMBERS OF BOARD OF THE COLLEGE OF THE HOLY & UNDIV (IE) 2019-05-08 EP disclosed
US-20190071410-A1 3-Phenyl-7-Hydroxy-Isocoumarins as Macrophage Migration Inhibitory Factor (MIF) Inhibitors THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2019-03-07 US disclosed
US-20170144983-A1 3-Phenyl-7-Hydroxy-Isocoumarins as Macrophage Migration Inhibitory Factor (MIF) Inhibitors THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2017-05-25 US disclosed
US-20170144983-A1 3-Phenyl-7-Hydroxy-Isocoumarins as Macrophage Migration Inhibitory Factor (MIF) Inhibitors THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2017-05-25 US disclosed
WO-2015144911-A1 3-PHENYL-7-HYDROXY-ISOCOUMARINS AS MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) INHIBITORS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2015-10-01 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 (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-20170144983-A1 3-Phenyl-7-Hydroxy-Isocoumarins as Macrophage Migration Inhibitory Factor (MIF) Inhibitors MIF, CCL2, MMP12 ALDH1A1 1170/4885GAA 2598/4885ERAP1 1088/4885
US-20190071410-A1 3-Phenyl-7-Hydroxy-Isocoumarins as Macrophage Migration Inhibitory Factor (MIF) Inhibitors MIF, CCL2, MMP12 ALDH1A1 1170/4885GAA 2598/4885ERAP1 1088/4885

“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.