SCHEMBL2744607

SCHEMBL2744607

CCOc1cc(O)c2ccc(OCC(OC)OC)c(Cl)c2n1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ADORA1 P30542 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL11942056 0.90 GRM4 (0.33) TSHRADORA1
SCHEMBL3369389 0.85 PDE4D (0.38) TSHRKDM4EMEN1ALDH1A1KMT2A
SCHEMBL8136201 0.83 ADORA1 (0.35) TSHRADORA1KDM4EMEN1ALDH1A1
SCHEMBL8139351 0.80 ALDH1A1 (0.34) TSHRADORA1MEN1ALDH1A1KMT2A
SCHEMBL6876345 0.80 TSHR (0.38) TSHRADORA1KDM4EMEN1ALDH1A1
SCHEMBL8136467 0.80
SCHEMBL8139157 0.80 PDE10A (0.31)
SCHEMBL8126170 0.80
SCHEMBL10083651 0.78
SCHEMBL8126728 0.77 PTGDR2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162431-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2017-06-07 EP disclosed
EP-2162431-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2017-06-07 EP disclosed
US-20150080569-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-03-19 US disclosed
US-20150080569-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-03-19 US disclosed
US-20150080569-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-03-19 US disclosed
US-8809266-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-8809266-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-8809266-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20130274439-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2013-10-17 US disclosed
US-20130274439-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2013-10-17 US disclosed
US-20120190866-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-07-26 US disclosed
US-8178491-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-05-15 US disclosed
US-8178491-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-05-15 US disclosed
US-8178491-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-05-15 US disclosed
EP-2162431-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 EP disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 US disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 US disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 US disclosed
WO-2009005676-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
WO-2009005676-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 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 (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-20130274439-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TSHR 4853/4885ADORA1 3065/4885KDM4E 2496/4885
US-20090257978-A1 Antiviral coumpounds MAVS, ZC3HAV1, EIF2AK2 TSHR 4858/4885ADORA1 4565/4885KDM4E 2399/4885
US-20120190866-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TSHR 4853/4885ADORA1 3065/4885KDM4E 2496/4885
US-20150080569-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TSHR 4853/4885ADORA1 3065/4885KDM4E 2496/4885

“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.