SCHEMBL2756243

SCHEMBL2756243

Cc1ccc(C(O)CCC(O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.53
GRM6 O15303 1/20 0.53
GRM4 Q14833 1/20 0.53
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
RECQL P46063 1/20 0.50
HTT P42858 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL12348008 0.89 GRM8 (0.49) GRM8GRM6GRM4ALDH1A1TSHR
SCHEMBL2054445 0.87 GRM8 (0.48) GRM8GRM6GRM4ALDH1A1TSHR
SCHEMBL14997909 0.87 GRM8 (0.48) GRM8GRM6GRM4ALDH1A1TSHR
SCHEMBL4434685 0.83 ALDH1A1 (0.53) GRM8GRM6GRM4ALDH1A1TSHR
SCHEMBL11813696 0.82 MAPT (0.52) ALDH1A1TSHRCYP3A4HSD17B10MAPK1
SCHEMBL1987819 0.80 GRM8 (0.53) GRM8GRM6GRM4CYP3A4RECQL
SCHEMBL12727085 0.80 GRM8 (0.53) GRM8GRM6GRM4CYP3A4RECQL
SCHEMBL241620 0.80 GRM8 (0.53) GRM8GRM6GRM4CYP3A4RECQL
SCHEMBL237370 0.80 GRM8 (0.53) GRM8GRM6GRM4CYP3A4RECQL
SCHEMBL2436243 0.79 TSHR (0.56) GRM8GRM6GRM4ALDH1A1TSHR

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 17 patents. 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-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-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 US disclosed
US-20150218194-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-08-06 US disclosed
US-9006387-B2 Anti-viral compounds ABBVIE INC. (US) 2015-04-14 US disclosed
US-20150087618-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-03-26 US disclosed
US-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 US disclosed
US-8921514-B2 Anti-viral compounds ABBVIE INC. (US) 2014-12-30 US disclosed
US-20140315792-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES 2014-10-23 US disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 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-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 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 (13 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 GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS GRM8 4465/4885GRM6 4411/4885GRM4 4355/4885

“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.