SCHEMBL443835

SCHEMBL443835

C=CC[C]c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
APP P05067 1/20 0.39
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
THPO P40225 1/20 0.34
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOB P27338 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
SCHEMBL9247299 0.76 CA12 (0.41) MAPTAPPALDH1A1CYP3A4THPO
SCHEMBL2117815 0.76 CYP1A2 (0.52) MAPTAPPTSHRALDH1A1CYP2C19
SCHEMBL5608616 0.76 MAPT (0.38) MAPTAPPTSHRALDH1A1CYP2C19
Phenylacetylene SCHEMBL9299701 0.73 KMT2A (0.39) MAPTAPPTSHRALDH1A1CYP2C9
SCHEMBL6352908 0.73 ALDH1A1 (0.36) MAPTAPPTSHRALDH1A1CYP2C19
SCHEMBL3987139 0.67 GABRA1 (0.41) TSHRALDH1A1CYP1A2PMP22
SCHEMBL7056254 0.67 SMN1; SMN2 (0.39) TSHRALDH1A1SMN1; SMN2MAOB
SCHEMBL5174787 0.67 CYP3A4 (0.39) MAPTAPPTSHRALDH1A1CYP3A4
SCHEMBL4436790 0.67 ALDH1A1 (0.44) MAPTTSHRALDH1A1CYP2C19CYP1A2
SCHEMBL5544447 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US claimed
EP-2368877-B1 Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection VERTEX PHARMA (US) 2014-05-07 EP claimed
EP-1958956-B1 Peptidomimetic protease inhibitors VERTEX PHARMA (US) 2013-12-11 EP claimed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US claimed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US claimed
EP-2368901-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-28 EP claimed
EP-2368877-A1 Chiral intermediates for the preparation of peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-28 EP claimed
EP-2368878-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-28 EP claimed
JP-4689938-B2 2011-06-01 JP claimed
EP-1958956-A2 Peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-08-20 EP claimed
EP-1849797-A2 Peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2007-10-31 EP claimed
US-20050197299-A1 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED 2005-09-08 US claimed
JP-2004517047-A 2004-06-10 JP claimed
EP-1320540-A2 PEPTIDOMIMETIC PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-06-25 EP claimed
WO-2002018369-A2 PEPTIDOMIMETIC PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-03-07 WO claimed
CN-111032707-B Polypropylene composition with low shrinkage at wide application temperature range 博里利斯股份公司 2022-03-25 CN disclosed
CN-109890892-B High flow heterophasic polypropylene copolymers with improved mechanical and optical properties 博里利斯股份公司 2021-11-16 CN disclosed
US-4036632-A CONTROLLING WEEDS USING 3-METHYLTHIO-4-AMINO-6-BUTYL-1,2,4 TRIAZINE-5-ONE BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-3978041-A CARDIAC INSUFFICIENCY CIBA-GEIGY CORPORATION (US) 1976-08-31 US disclosed
US-3966715-A 1,2,4-TRIAZINE-5-ONES BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 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 (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-20050197299-A1 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives CTRC, PEPD, CTSC MAPT 4585/4885APP 2643/4885TSHR 1822/4885
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD MAPT 4525/4885APP 739/4885TSHR 4389/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD MAPT 4525/4885APP 739/4885TSHR 4389/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP MAPT 4461/4885APP 513/4885TSHR 4606/4885

“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.