SCHEMBL10136752

SCHEMBL10136752

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ POLB P06746 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL13509390 1.00 MAPT (0.33) MAPTMEN1KMT2APKMGAA
SCHEMBL10170421 0.87 TAS1R3 (0.33) MAPTMEN1KMT2APKMALDH1A1
SCHEMBL31563030 0.78 ALDH1A1 (0.43) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL31563093 0.78 MAPT (0.50) MAPTMEN1KMT2APKMGAA
SCHEMBL8293462 0.78 P2RX7 (0.45) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL14932943 0.75 HTT (0.39) MEN1KMT2APKMGAAALDH1A1
SCHEMBL12027695 0.75 SLC40A1 (0.44) MAPTMEN1KMT2APKMALDH1A1
SCHEMBL15983169 0.75 ALDH1A1 (0.46) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL31563055 0.75 RAB9A (0.35) MAPTMEN1KMT2APOLBHTT
SCHEMBL8299537 0.74 LMNA (0.35) MAPTMEN1KMT2AGAAALDH1A1

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 MAPT 4315/4885MEN1 4683/4885KMT2A 4209/4885
US-20120034187-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC MAPT 4315/4885MEN1 4683/4885KMT2A 4209/4885
US-20110177030-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC MAPT 4315/4885MEN1 4683/4885KMT2A 4209/4885

“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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