SCHEMBL3703449

SCHEMBL3703449

C=CCCC[C@@H]1C[C@@]1(C)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
FAAH O00519 1/20 0.33
LSS P48449 1/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL10092275 1.00 TSHR (0.36) TSHRALDH1A1FAAHLSSCHRNB2
SCHEMBL15412875 1.00 TSHR (0.36) TSHRALDH1A1FAAHLSSCHRNB2
SCHEMBL10092277 0.87
SCHEMBL15412688 0.87
SCHEMBL14979879 0.87
SCHEMBL15096202 0.80 CHRNB2 (0.33) TSHRALDH1A1CHRNB2CHRNA7CHRNA4
SCHEMBL15094488 0.80 CHRNB2 (0.33) TSHRALDH1A1CHRNB2CHRNA7CHRNA4
SCHEMBL882340 0.80 CHRNB2 (0.33) TSHRALDH1A1CHRNB2CHRNA7CHRNA4
SCHEMBL877918 0.80 CHRNB2 (0.33) TSHRALDH1A1CHRNB2CHRNA7CHRNA4
SCHEMBL15094487 0.80 CHRNB2 (0.33) TSHRALDH1A1CHRNB2CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3825312-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Pharmasset LLC (US) 2021-05-26 EP disclosed
US-10603318-B2 Inhibitors of hepatitis C virus GILEAD PHARMASSET LLC (US) 2020-03-31 US disclosed
US-10335409-B2 Inhibitors of hepatitis C virus GILEAD PHARMASSET LLC (US) 2019-07-02 US disclosed
EP-3492464-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2019-06-05 EP disclosed
US-20190008858-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2019-01-10 US disclosed
EP-3159345-B1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES INC (US) 2019-01-09 EP disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2014-01-16 US disclosed
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2014-01-16 US disclosed
WO-2014008285-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2014-01-09 WO disclosed
WO-2014008285-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2014-01-09 WO disclosed
US-20130178413-A1 HCV NS3 PROTEASE INHIBITORS MSD ITALIA SRL (IT) 2013-07-11 US disclosed
US-20130178413-A1 HCV NS3 PROTEASE INHIBITORS MSD ITALIA SRL (IT) 2013-07-11 US disclosed
US-20130178413-A1 HCV NS3 PROTEASE INHIBITORS MSD ITALIA SRL (IT) 2013-07-11 US disclosed
US-20120121624-A1 HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP (US) 2012-05-17 US disclosed
US-20120121624-A1 HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP (US) 2012-05-17 US disclosed
WO-2012040040-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-29 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 (7 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-20130178413-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, CTSC, GTF3C3 TSHR 4632/4885ALDH1A1 1179/4885FAAH 1717/4885
US-20190008858-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 TSHR 4413/4885ALDH1A1 112/4885FAAH 2118/4885
US-10603318-B2 Inhibitors of hepatitis C virus HAVCR2, SLC10A1, GOT1 TSHR 4413/4885ALDH1A1 112/4885FAAH 2118/4885
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 TSHR 4413/4885ALDH1A1 112/4885FAAH 2118/4885
US-20120121624-A1 HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC TSHR 4569/4885ALDH1A1 883/4885FAAH 2330/4885
US-10335409-B2 Inhibitors of hepatitis C virus HAVCR2, SLC10A1, GOT1 TSHR 4413/4885ALDH1A1 112/4885FAAH 2118/4885
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 TSHR 4413/4885ALDH1A1 112/4885FAAH 2118/4885

“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.