SCHEMBL5166833

SCHEMBL5166833

COc1cc(F)c(C(C)C)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.45
P2RX2 Q9UBL9 4/20 0.45
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
HTR2A P28223 1/20 0.35
CETP P11597 1/20 0.35
EIF4A3 P38919 1/20 0.35

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
SCHEMBL13059718 0.89 GAA (0.48) P2RX3P2RX2GAAMGAMSI
SCHEMBL21142303 0.89 GAA (0.48) P2RX3P2RX2GAAMGAMSI
SCHEMBL12190518 0.89 P2RX3 (0.48) P2RX3P2RX2GAAMGAMSI
SCHEMBL13085628 0.89 P2RX3 (0.43) P2RX3P2RX2GAAMAPTHTR2A
SCHEMBL9957945 0.86 P2RX3 (0.38) P2RX3P2RX2GAAMGAMSI
SCHEMBL15927601 0.86 P2RX3 (0.41) P2RX3P2RX2GAAMGAMSI
SCHEMBL29786811 0.86 P2RX3 (0.38) P2RX3P2RX2GAAMGAMSI
SCHEMBL171073 0.85 POLB (0.46) P2RX3P2RX2GAAPOLBGFER
SCHEMBL24449860 0.84 ALOX15 (0.40) P2RX3P2RX2GAAPOLBGFER
SCHEMBL10085674 0.84 P2RX3 (0.38) P2RX3P2RX2GAAPOLBGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104557757-A CETP inhibitors MERCK & CO INC 2015-04-29 CN disclosed
CN-104447603-A CETP inhibitors MERCK SHARP & DOHME 2015-03-25 CN disclosed
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-7807690-B2 2,3-dihydro-iminoisoindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-05 US disclosed
US-7807690-B2 2,3-dihydro-iminoisoindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-05 US disclosed
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US disclosed
EP-1765793-A1 CETP INHIBITORS Merck and Co., Inc. (US) 2007-03-28 EP disclosed
WO-2006014413-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 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 (2 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-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 P2RX3 4662/4885P2RX2 4613/4885GAA 2310/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 P2RX3 3232/4885P2RX2 3589/4885GAA 3903/4885

“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.