SCHEMBL240086

SCHEMBL240086

O=C(CCC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.71
CES1 P23141 2/20 0.65
CA1 P00915 2/20 0.63
CA2 P00918 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
TSHR P16473 1/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPK1 P28482 1/20 0.61
CES2 O00748 1/20 0.57
SRD5A2 P31213 1/20 0.57
HSD11B1 P28845 1/20 0.56
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
MMP8 P22894 1/20 0.54
PKM P14618 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL4477185 0.92 CES1 (0.70) GSK3BCES1CA1CA2TDP1
SCHEMBL6650467 0.92 GSK3B (0.62) GSK3BCES1CA1CA2TDP1
SCHEMBL9734470 0.92 GSK3B (0.67) GSK3BCES1CA1CA2TDP1
SCHEMBL10788264 0.91 TSHR (0.61) GSK3BCES1CA1CA2TDP1
SCHEMBL1982760 0.91 GSK3B (0.66) GSK3BCES1CA1CA2TDP1
SCHEMBL11705103 0.90 GSK3B (0.65) GSK3BCES1CA1CA2TDP1
SCHEMBL9439988 0.88 GSK3B (0.62) GSK3BCES1CA1CA2TDP1
SCHEMBL10789142 0.88 GSK3B (0.62) GSK3BCES1CA1CA2TDP1
SCHEMBL18045554 0.88 GSK3B (0.73) GSK3BCES1CA1CA2TDP1
SCHEMBL18045560 0.88 GSK3B (0.62) GSK3BCES1CA1CA2TDP1

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
CN-115403652-A Preparation method of obitasvir 心远(广州)药物研究有限公司 2022-11-29 CN disclosed
WO-2019189416-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2019-10-03 WO disclosed
EP-3438106-A1 ANTI-VIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2019-02-06 EP disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
EP-2368890-A1 Hepatitis C virus inhibitors Abbott Laboratories (US) 2011-09-28 EP disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
WO-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 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 (8 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GSK3B 665/4885CES1 396/4885CA1 4852/4885
US-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS GSK3B 665/4885CES1 396/4885CA1 4852/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GSK3B 665/4885CES1 396/4885CA1 4852/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GSK3B 665/4885CES1 396/4885CA1 4852/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GSK3B 665/4885CES1 396/4885CA1 4852/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GSK3B 665/4885CES1 396/4885CA1 4852/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GSK3B 665/4885CES1 396/4885CA1 4852/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS GSK3B 665/4885CES1 396/4885CA1 4852/4885

“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.