SCHEMBL3794754

SCHEMBL3794754

CCCCOc1ccccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.66
MAPT P10636 4/20 0.66
TDP1 Q9NUW8 1/20 0.66
CYP1A2 P05177 3/20 0.60
CYP2C19 P33261 3/20 0.60
CYP2C9 P11712 2/20 0.60
KCNH2 Q12809 1/20 0.57
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP3A4 P08684 1/20 0.54
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
CYP2D6 P10635 1/20 0.53
MEN1 O00255 1/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL30167630 1.00 L3MBTL1 (0.66) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL11874439 0.94 L3MBTL1 (0.64) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL11662071 0.92 L3MBTL1 (0.62) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL2482690 0.91 L3MBTL1 (0.71) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL3790085 0.89 L3MBTL1 (0.59) L3MBTL1MAPTTDP1CYP1A2CYP2C19
Di(Hydroxyethyl)Ether SCHEMBL2482687 0.88 L3MBTL1 (0.59) L3MBTL1MAPTTDP1CYP1A2CYP2C19
Ammonia Solution, Strong SCHEMBL27524671 0.88 L3MBTL1 (0.58) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL9808263 0.84 L3MBTL1 (0.68) L3MBTL1MAPTTDP1CYP1A2CYP2C19
1,2-Dibutoxybenzene SCHEMBL1226749 0.84 CYP1A2 (0.72) L3MBTL1MAPTTDP1CYP1A2CYP2C19
1,2-Dibutoxybenzene SCHEMBL29428927 0.84 CYP1A2 (0.72) L3MBTL1MAPTTDP1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 US disclosed
EP-2588197-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2014-11-05 EP disclosed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 US disclosed
WO-2012058132-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-7521581-B2 Catalyst composition and process for producing cross-coupled compound using same TOSOH CORPORATION (JP) 2009-04-21 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same TOSOH CORPORATION 2006-10-05 US disclosed
EP-1707263-A1 Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same Tosoh Corporation (JP) 2006-10-04 EP disclosed
US-6984645-B2 Dual inhibitors of adipocyte fatty acid binding protein and keratinocyte fatty acid binding protein BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-10 US disclosed
WO-2004105738-A2 USE OF TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 WO disclosed
US-6479709-B1 Process for the production of styrene derivative TOSOH CORPORATION (JP) 2002-11-12 US disclosed
US-6472567-B2 REACTING A GRIGNARD REAGENT PREPARED FROM A SUBSTITUTED PHENYL HALIDE, ESPECIALLY A TERT-BUTOXYPHENYL HALIDE, WITH A VINYL HALIDE IN THE PRESENCE OF A MANGANESE, IRON, COBALT OR RHODIUM CATALYST; PRODUCT FREE FROM BIPHENYL. TOSOH CORPORATION (JP) 2002-10-29 US disclosed
US-20020026084-A1 Process for the production of styrene compound, and styrene compound free from biphenyl TOSOH CORPORATION (JP) 2002-02-28 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-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E L3MBTL1 3585/4885MAPT 4213/4885TDP1 3574/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 L3MBTL1 3838/4885MAPT 3312/4885TDP1 4196/4885
US-20020026084-A1 Process for the production of styrene compound, and styrene compound free from biphenyl RNF4, GRHPR, SBDS L3MBTL1 863/4885MAPT 1929/4885TDP1 3812/4885
US-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same C5, TST, PYM1 L3MBTL1 3243/4885MAPT 4629/4885TDP1 2436/4885

“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.