SCHEMBL10170421

SCHEMBL10170421

COC(=O)/C=C(\Nc1ccc(C)c(OC)c1C)C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 3/20 0.33
▸ TAS1R1 Q7RTX1 3/20 0.33
▸ TAS1R2 Q8TE23 3/20 0.33
▸ MAPT P10636 4/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PKM P14618 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ HPGD P15428 2/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL10136752 0.87 MAPT (0.33) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL13509390 0.87 MAPT (0.33) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL14380153 0.86 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2MAPTALDH1A1
SCHEMBL8293462 0.78 P2RX7 (0.45) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL31563093 0.75 MAPT (0.50) MAPTALDH1A1LMNASMN1; SMN2PKM
SCHEMBL31563030 0.75 ALDH1A1 (0.43) MAPTALDH1A1NPC1LMNAMAPK1
SCHEMBL8300975 0.72 SMN1; SMN2 (0.52) MAPTALDH1A1NPC1LMNAMAPK1
SCHEMBL14932943 0.72 HTT (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL8299146 0.72 GRM4 (0.49) MAPTALDH1A1NPC1LMNAALOX15
SCHEMBL4985785 0.72 KMT2A (0.49) MAPTALDH1A1NPC1MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120269769-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 — — US disclosed
US-20120034187-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 — — US disclosed
US-8067438-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 — — US disclosed
US-20110177030-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-21 — — US disclosed
US-7939667-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-10 — — US disclosed
US-20100028300-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 — — US disclosed
US-20100028300-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 — — US disclosed
US-7642235-B2 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 — — US disclosed
US-7642235-B2 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 — — 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 (4 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-20120269769-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC TAS1R3 2060/4885TAS1R1 1930/4885TAS1R2 3053/4885
US-20120034187-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC TAS1R3 2060/4885TAS1R1 1930/4885TAS1R2 3053/4885
US-20100028300-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS CTRL, RPP30, RNASE1 TAS1R3 2393/4885TAS1R1 2207/4885TAS1R2 3286/4885
US-20110177030-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC TAS1R3 2060/4885TAS1R1 1930/4885TAS1R2 3053/4885

“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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