SCHEMBL1456005

SCHEMBL1456005

CC(C)(C)OP(=O)(OCC(C)(N)c1ccccc1)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.42
ALDH1A1 P00352 4/20 0.38
TAAR1 Q96RJ0 1/20 0.35
MAPK1 P28482 2/20 0.33
MAPT P10636 2/20 0.33
CA2 P00918 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNN4 O15554 2/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
TSHR P16473 1/20 0.32
PTPN1 P18031 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL1455701 0.73 GRM4 (0.32)
SCHEMBL31367858 0.73 TSHR (0.53) ALDH1A1MAPK1TSHRPTPN1
SCHEMBL144971 0.71 TACR1 (0.51) TACR1ALDH1A1TAAR1MAPK1MAPT
SCHEMBL11495008 0.71 TACR1 (0.51) TACR1ALDH1A1TAAR1MAPK1MAPT
SCHEMBL17999714 0.68 CYP2C19 (0.33) CYP2C19TSHR
SCHEMBL20701824 0.68 TSHR (0.52) ALDH1A1MAPK1TSHRPTPN1
SCHEMBL26981167 0.67 CA1 (0.40) CA2KMT2ATSHR
SCHEMBL464914 0.66 SRC (0.48) ALDH1A1MAPK1KMT2ATSHR
SCHEMBL1072680 0.66 SRC (0.48) ALDH1A1MAPK1KMT2ATSHR
SCHEMBL155932 0.66 TAAR1 (0.52) TACR1ALDH1A1TAAR1MAPK1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (1 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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 TACR1 4257/4885ALDH1A1 2723/4885TAAR1 4610/4885

“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.