SCHEMBL17299139

SCHEMBL17299139

CCOC(=O)COc1ccc(-c2cccc(C(C)O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ PTPN1 P18031 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ ESR1 P03372 1/20 0.48
▸ F9 P00740 1/20 0.46
▸ F10 P00742 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PPARG P37231 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL15447648 1.00 KDM4E (0.53) KDM4EMAPTHSD17B10HPGDALDH1A1
SCHEMBL17299140 0.84 MAPT (0.52) MAPTALDH1A1NPC1RAB9APPARG
SCHEMBL15447650 0.84 MAPT (0.52) MAPTALDH1A1NPC1RAB9APPARG
SCHEMBL18563422 0.84 MAPT (0.49) MAPTNPC1RAB9A
SCHEMBL8264139 0.83 KDM4E (0.59) KDM4EMAPTHSD17B10HPGDALDH1A1
SCHEMBL12646482 0.82 KDM4E (0.57) KDM4EMAPTHSD17B10HPGDALDH1A1
SCHEMBL19479573 0.81 MAPT (0.52) MAPTHPGDALDH1A1GAAPPARG
SCHEMBL15447704 0.81 MAPT (0.52) MAPTHPGDALDH1A1GAAPPARG
SCHEMBL5386249 0.81 MAPT (0.74) KDM4EMAPTHSD17B10HPGDALDH1A1
SCHEMBL9267668 0.81 GAA (0.70) KDM4EMAPTHSD17B10HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512175-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2016-12-06 — — US disclosed
US-9512175-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2016-12-06 — — US disclosed
US-20150344521-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2015-12-03 — — US disclosed
US-20150344521-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2015-12-03 — — 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 (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-20150344521-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS KDM4E 1883/4885MAPT 3301/4885HSD17B10 368/4885

“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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