SCHEMBL965322

SCHEMBL965322

Cc1[c]c2cc(C)c3ccccc3c2cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.41
CYP2A6 P11509 3/20 0.41
BACE1 P56817 1/20 0.36
CYP2C19 P33261 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NQO2 P16083 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HPRT1 P00492 1/20 0.30

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
SCHEMBL18317617 0.74 HPRT1 (0.54) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL28538940 0.73 CYP1A2 (0.48) CYP1A2CYP2A6BACE1CYP2C19TNKS2
SCHEMBL292398 0.72 CYP1A2 (0.40) CYP1A2CYP2A6BACE1CYP2C19TNKS2
SCHEMBL3112841 0.72 HPRT1 (0.50) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL18317355 0.72 CYP1A2 (0.38) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL598701 0.70 CYP1A2 (0.61) CYP1A2CYP2A6BACE1CYP2C19TNKS2
SCHEMBL669061 0.68 CYP1A2 (0.46) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL599191 0.64 CYP1A2 (0.62) CYP1A2CYP2A6BACE1ALDH1A1HPGD
SCHEMBL598688 0.64 CYP1A2 (0.68) CYP1A2CYP2A6BACE1CYP2C19TNKS2
SCHEMBL31235727 0.64 HPRT1 (0.64) CYP1A2CYP2A6CYP2C19ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722956-B2 Kit for decomposing organophosphorus compounds QUEEN'S UNIVERSITY AT KINGSTON (US) 2014-05-13 US claimed
WO-2013033830-A1 METHOD FOR THE DETECTION OF CHEMICAL WARFARE AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2013-03-14 WO claimed
EP-1613402-B1 METHOD OF DECOMPOSING ORGANOPHOSPHORUS COMPOUNDS UNIV KINGSTON (CA) 2013-01-16 EP claimed
US-20110253580-A1 Method of Decomposing Organophosphorus Compounds QUEEN'S UNIVERSITY AT KINGSTON (CA) 2011-10-20 US claimed
US-7875739-B2 Detoxification of hazardous materials; rapid lanthanum ion catalyzed alcoholysis QUEEN'S UNIVERSITY AT KINGSTON (CA) 2011-01-25 US claimed
US-20070299275-A1 Method of decomposing organophosphorus compounds BROWN R S 2007-12-27 US claimed
EP-1613402-A2 METHOD OF DECOMPOSING ORGANOPHOSPHORUS COMPOUNDS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-11 EP claimed
US-20040230082-A1 Method of decomposing organophosphorus compounds QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-11-18 US claimed
WO-2004080543-A2 METHOD OF DECOMPOSING ORGANOPHOSPHORUS COMPOUNDS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-09-23 WO claimed
US-8722956-B2 Kit for decomposing organophosphorus compounds QUEEN'S UNIVERSITY AT KINGSTON (US) 2014-05-13 US disclosed
WO-2013033830-A1 METHOD FOR THE DETECTION OF CHEMICAL WARFARE AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2013-03-14 WO disclosed
EP-1613402-B1 METHOD OF DECOMPOSING ORGANOPHOSPHORUS COMPOUNDS UNIV KINGSTON (CA) 2013-01-16 EP disclosed
US-20110253580-A1 Method of Decomposing Organophosphorus Compounds QUEEN'S UNIVERSITY AT KINGSTON (CA) 2011-10-20 US disclosed
US-7875739-B2 Detoxification of hazardous materials; rapid lanthanum ion catalyzed alcoholysis QUEEN'S UNIVERSITY AT KINGSTON (CA) 2011-01-25 US disclosed
US-20070299275-A1 Method of decomposing organophosphorus compounds BROWN R S 2007-12-27 US disclosed
US-7214836-B2 Method of decomposing organophosphorus compounds QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-05-08 US disclosed
EP-1613402-A2 METHOD OF DECOMPOSING ORGANOPHOSPHORUS COMPOUNDS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-11 EP disclosed
US-20040230082-A1 Method of decomposing organophosphorus compounds QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-11-18 US disclosed
WO-2004080543-A2 METHOD OF DECOMPOSING ORGANOPHOSPHORUS COMPOUNDS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-09-23 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-20070299275-A1 Method of decomposing organophosphorus compounds ACHE, L3MBTL3, L3MBTL4 CYP1A2 1418/4885CYP2A6 1306/4885BACE1 1248/4885
US-20040230082-A1 Method of decomposing organophosphorus compounds ACHE, L3MBTL3, L3MBTL4 CYP1A2 1418/4885CYP2A6 1306/4885BACE1 1248/4885

“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.