SCHEMBL17128792

SCHEMBL17128792

O=c1oc(-c2ccccc2C(F)(F)F)cc2ccc(O)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C1R P00736 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ WEE1 P30291 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ HSD17B3 P37058 1/20 0.42
▸ PSMB8 P28062 1/20 0.41
▸ PSD A5PKW4 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ SLC9A1 P19634 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL17128884 0.89 TRPV1 (0.41) C1RTRPV1CHEK1WEE1MEN1
SCHEMBL17128883 0.88 NOTUM (0.43) C1RTRPV1CHEK1WEE1MEN1
SCHEMBL17128798 0.87 MEN1 (0.42) MEN1KMT2ATDP1ALOX5TP53
SCHEMBL17128788 0.85 C1R (0.48) C1RMEN1KMT2ATDP1PRKDC
SCHEMBL17128787 0.81 CTDSP1 (0.46) C1RMEN1KMT2ATDP1PRKDC
SCHEMBL17128872 0.80 ESR1 (0.43) MEN1KMT2ATDP1HSD17B3PSD
SCHEMBL17114051 0.80 HPGD (0.48) MEN1KMT2ATDP1HSD17B3ALOX5
SCHEMBL17128801 0.77 MEN1 (0.43) CHEK1WEE1MEN1KMT2ATDP1
SCHEMBL17128804 0.77 MEN1 (0.43) MEN1KMT2ATDP1ALOX5TP53
SCHEMBL20953941 0.77 MEN1 (0.51) MEN1KMT2ATDP1ALOX5TP53

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 C1R 4367/4885TRPV1 4792/4885CHEK1 4083/4885
US-20190071410-A1 3-Phenyl-7-Hydroxy-Isocoumarins as Macrophage Migration Inhibitory Factor (MIF) Inhibitors MIF, CCL2, MMP12 C1R 4367/4885TRPV1 4792/4885CHEK1 4083/4885

“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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