SCHEMBL352082

SCHEMBL352082

CC(C)Oc1ccc2ccccc2c1-c1c(P(C(C)(C)C)C(C)(C)C)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.35
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TLR8 Q9NR97 1/20 0.33
MCHR1 Q99705 1/20 0.33
NCEH1 Q6PIU2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NISCH Q9Y2I1 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
POLB P06746 1/20 0.32
HTR1B P28222 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
SCHEMBL29583072 1.00 MAPT (0.47) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL2017985 0.84 MAPT (0.67) MAPTMEN1KMT2ANISCH
SCHEMBL29511657 0.84 MAPT (0.67) MAPTMEN1KMT2ANISCH
SCHEMBL30222010 0.83 MAPT (0.42) MAPTCYP1A2TDP1L3MBTL1
SCHEMBL2023656 0.83 MAPT (0.42) MAPTCYP1A2TDP1L3MBTL1
SCHEMBL3274613 0.83 MAPT (0.62) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL29350914 0.81 MAPT (0.47) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL9224964 0.81 MAPT (0.47) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL16241795 0.76 MAPT (0.54) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL19222664 0.75 MAPT (0.53) MAPTCYP1A2CYP2C9CYP2C19IRAK4

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
EP-2593439-B1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2016-08-17 EP claimed
EP-2593439-A2 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS Abbvie Inc. (US) 2013-05-22 EP claimed
US-20120014913-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US claimed
WO-2012009699-A2 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 WO claimed
EP-3415504-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2018-12-19 EP disclosed
EP-3056486-B1 PROCESS FOR PREPARING INTERMEDIATES FOR ANTIVIRAL COMPOUNDS ABBVIE IRELAND UNLIMITED CO (IE) 2018-07-11 EP disclosed
EP-2887941-B1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE IRELAND UNLIMITED CO (IE) 2018-07-11 EP disclosed
US-9732045-B2 Process for preparing antiviral compounds ABBVIE INC. (US) 2017-08-15 US disclosed
US-20160332973-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE INC. 2016-11-17 US disclosed
US-9434698-B2 Process for preparing antiviral compounds ABBVIE INC. (US) 2016-09-06 US disclosed
EP-3056486-A2 PROCESS FOR PREPARING INTERMEDIATES FOR ANTIVIRAL COMPOUNDS AbbVie Bahamas Ltd. (BS) 2016-08-17 EP disclosed
EP-2593439-B1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2016-08-17 EP disclosed
US-9255074-B2 Process for preparing antiviral compounds ABBVIE INC. (US) 2016-02-09 US disclosed
US-20150191437-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE INC. (US) 2015-07-09 US disclosed
US-8895737-B2 Process for preparing antiviral compounds ABBVIE INC. 2014-11-25 US disclosed
US-20130224149-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE INC. (US) 2013-08-29 US disclosed
US-20120014913-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 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-20130224149-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS HAVCR2, RNASE1, MAVS MAPT 4064/4885CYP1A2 673/4885CYP2C9 336/4885
US-20160332973-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS HAVCR2, RNASE1, MAVS MAPT 4064/4885CYP1A2 673/4885CYP2C9 336/4885
US-20120014913-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS HAVCR2, MAVS, RNASE1 MAPT 4108/4885CYP1A2 803/4885CYP2C9 351/4885
US-20150191437-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS HAVCR2, RNASE1, MAVS MAPT 4064/4885CYP1A2 673/4885CYP2C9 336/4885

“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.