SCHEMBL472131

SCHEMBL472131

C=CCOc1ccc(C(C)c2ccc(OCC=C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.51
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA9 Q16790 3/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.45
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
USP2 O75604 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL14275899 0.88 CYP2D6 (0.51) CYP2D6CA12CA1CA9CA2
SCHEMBL13888299 0.85 CA12 (0.50) CYP2D6CA12CA1CA9CA2
SCHEMBL10581838 0.85 CYP2D6 (0.56) CYP2D6CA12CA1CA9CA2
SCHEMBL16641008 0.83 CA12 (0.52) CYP2D6CA12CA1CA9CA2
SCHEMBL15869154 0.83 CA12 (0.52) CYP2D6CA12CA1CA9CA2
SCHEMBL15869182 0.83 CA12 (0.52) CYP2D6CA12CA1CA9CA2
SCHEMBL13085153 0.83 ALDH1A1 (0.54) CYP2D6CA12CA1CA9CA2
SCHEMBL9304382 0.83 CYP2D6 (0.48) CYP2D6CA12CA1CA9CA2
1,4-Diallyloxybenzene SCHEMBL302448 0.82 CA12 (0.63) CYP2D6CA12CA1CA9CA2
SCHEMBL9768379 0.81 CA12 (0.46) CYP2D6CA12CA1CA9CA2

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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701874-B2 Conductive adhesive, anisotropic conductive film, and electronic device using same SHOWA DENKO K.K. (JP) 2017-07-11 US claimed
US-8143362-B2 Composition containing unsaturated silicone compounds, dental materials containing them and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US claimed
US-20100331444-A1 COMPOSITION CONTAINING UNSATURATED SILICONE COMPOUNDS, DENTAL MATERIALS CONTAINING THEM AND USE THEREOF 3M ESPE AG (A WHOLLY-OWNED SUBSIDUARY OF 3M COMPANY) 2010-12-30 US claimed
US-7807730-B2 Composition containing unsaturated silicone compounds, dental materials containing them and use thereof 3M ESPE AG (DE) 2010-10-05 US claimed
US-11203181-B2 Barrier film-containing format and the use thereof for pre-applied underfill film for 3D TSV packages HENKEL AG & CO. KGAA (DE) 2021-12-21 US disclosed
US-11174419-B2 Light stable transparent adhesive compositions and methods for use thereof HENKEL AG & CO. KGAA (DE) 2021-11-16 US disclosed
US-10985108-B2 Compositions for gap coating and/or filling in or between electronic packages by capillary flow and methods for the use thereof Henkel IP & Holding GmbH (DE) 2021-04-20 US disclosed
US-10937740-B2 2021-03-02 US disclosed
US-10927249-B2 Resin compositions for underfill film for three dimensional through silica via (TSV) packages and compositions useful for the preparation thereof Henkel IP & Holding GmbH (DE) 2021-02-23 US disclosed
US-10858523-B2 Achieving electromagnetic interference shielding protection by deposition of highly conductive compositions Henkel IP & Holding GmbH (DE) 2020-12-08 US disclosed
EP-2982727-B1 CONDUCTIVE ADHESIVE, ANISOTROPIC CONDUCTIVE FILM AND ELECTRONIC DEVICES USING BOTH SHOWA DENKO KK (JP) 2020-09-02 EP disclosed
US-10741503-B2 Graphene-containing materials for coating and gap filling applications Henkel IP & Holding GmbH (DE) 2020-08-11 US disclosed
US-5753748-A MONOMER VEHICLE CONTAINING ATLEAST ONE POLYISOCYANTE ESTER MONOMER, CATIONIC SURFACTANTS AND METAL CATALYSTS QUANTUM MATERIALS, INC. (US) 1998-05-19 US disclosed
US-5718941-A FOR ADHESIVE COMPOSITIONS QUANTUM MATERIALS, INC. (US) 1998-02-17 US disclosed
US-5646241-A ADHESIVES QUANTUM MATERIALS, INC. (US) 1997-07-08 US disclosed
EP-0686170-A4 DIE-ATTACH COMPOSITIONS QUANTUM MATERIALS INC (US) 1997-05-28 EP disclosed
US-5489641-A CURABLE MIXTURE CONTAINING LIQUID POLYCYANATE ESTER MONOMER, ELECTROCONDUCTIVE FILLER AND METAL CATALYST QUANTUM MATERIALS (US) 1996-02-06 US disclosed
EP-0686170-A1 DIE-ATTACH COMPOSITIONS QUANTUM MATERIALS (US) 1995-12-13 EP disclosed
US-5358992-A Bonding semiconductor to substrate QUANTUM MATERIALS, INC. (US) 1994-10-25 US disclosed
WO-1994019402-A2 DIE-ATTACH COMPOSITIONS QUANTUM MATERIALS (US) 1994-09-01 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-20100331444-A1 COMPOSITION CONTAINING UNSATURATED SILICONE COMPOUNDS, DENTAL MATERIALS CONTAINING THEM AND USE THEREOF SMCHD1, CAD, ESD CYP2D6 2397/4885CA12 2030/4885CA1 1100/4885

“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.