SCHEMBL258951

SCHEMBL258951

C=Cc1cc(O)ccc1OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CAPN1 P07384 1/20 0.36
AR P10275 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
ESRRB O95718 1/20 0.34
ESRRA P11474 1/20 0.34

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
SCHEMBL31312752 1.00 BACE1 (0.37) BACE1ALDH1A1LMNAPOLBMAPT
SCHEMBL15298621 0.81 BACE1 (0.43) BACE1ALDH1A1LMNAPOLBMAPT
SCHEMBL6935704 0.80 ALDH1A1 (0.41) ALDH1A1LMNAPOLBMAPTALOX12
SCHEMBL13257964 0.80 P2RX3 (0.39) ALDH1A1LMNAPOLBMAPTALOX12
SCHEMBL1272528 0.79 ALDH1A1 (0.39) ALDH1A1LMNAPOLBMAPTALOX12
SCHEMBL340634 0.79 MDM2 (0.40) ALDH1A1LMNAPOLBMAPTALOX12
SCHEMBL339513 0.79 ALDH1A1 (0.43) ALDH1A1LMNAPOLBMAPTALOX12
SCHEMBL314775 0.79 ALDH1A1 (0.52) ALDH1A1LMNAPOLBMAPTALOX12
SCHEMBL12369333 0.79 MAPT (0.34) ALDH1A1LMNAPOLBMAPTALOX12
SCHEMBL3709198 0.79 MAPT (0.34) ALDH1A1LMNAPOLBMAPTALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148287-B2 Catalyst immobilization on siliceous mesocellular foam via click chemistry AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-03 US disclosed
US-8148287-B2 Catalyst immobilization on siliceous mesocellular foam via click chemistry AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-03 US disclosed
US-8067440-B2 Phosphonium salts derivatives and uses thereof VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-11-29 US disclosed
US-20110092683-A1 PHOSPHONIUM SALTS DERIVATIVES AND USES THEREOF VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-04-21 US disclosed
US-7880037-B2 Phosphonium supported triphenylphosphine; for controlling solubility of a molecule; oxidation of Cinnamyl Alcohol using above catalyst system VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-02-01 US disclosed
US-20100105544-A1 CATALYST IMMOBILIZATION ON SILICEOUS MESOCELLULAR FOAM VIA CLICK CHEMISTRY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-04-29 US disclosed
US-20100105544-A1 CATALYST IMMOBILIZATION ON SILICEOUS MESOCELLULAR FOAM VIA CLICK CHEMISTRY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-04-29 US disclosed
WO-2008115154-A1 CATALYST IMMOBILIZATION ON SILICEOUS MESOCELLULAR FOAM VIA CLICK CHEMISTRY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-09-25 WO disclosed
EP-1756128-A4 PHOSPHONIUM SALTS DERIVATIVES AND THEIR USE AS SOLUBILITY CONTROLLING AUXILIARIES VALORISATION RECH SOC EN COMMA (CA) 2008-06-25 EP disclosed
US-20070197477-A1 PHOSPHONIUM SALTS DERIVATIVES VALORISATION-RECHERECHE (CA) 2007-08-23 US disclosed
CN-101018795-A Phosphonium salts derivatives and their use as solubility controlling auxiliaries VALORISATION RECH SOC EN COMMA (CA) 2007-08-15 CN disclosed
EP-1756128-A1 PHOSPHONIUM SALTS DERIVATIVES AND THEIR USE AS SOLUBILITY CONTROLLING AUXILIARIES Valorisation-Recherche, Société en Commandite (CA) 2007-02-28 EP disclosed
WO-2005097812-A1 PHOSPHONIUM SALTS DERIVATIVES AND THEIR USE AS SOLUBILITY CONTROLLING AUXILIARIES Valorisation-Recherche, Société en Commandite (CA) 2005-10-20 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-20070197477-A1 PHOSPHONIUM SALTS DERIVATIVES PI4K2A, PIP4K2A, PI4K2B BACE1 3395/4885ALDH1A1 3806/4885LMNA 783/4885
US-20110092683-A1 PHOSPHONIUM SALTS DERIVATIVES AND USES THEREOF PI4K2A, PIP4K2A, PI4K2B BACE1 3219/4885ALDH1A1 3468/4885LMNA 964/4885

“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.