SCHEMBL1900344

SCHEMBL1900344

COc1ccc(C=Cc2ccc(-c3ccc(C=Cc4ccc(OC)cc4)cc3)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.71
TRPA1 O75762 1/20 0.71
CYP1A2 P05177 3/20 0.68
CYP1A1 P04798 3/20 0.68
CYP1B1 Q16678 3/20 0.68
ESR1 P03372 2/20 0.68
PTGS2 P35354 2/20 0.68
TUBB4A P04350 2/20 0.68
TUBB P07437 2/20 0.68
TUBA3C P0DPH7 2/20 0.68
AHR P35869 2/20 0.68
TUBA1B P68363 2/20 0.68
TUBA4A P68366 2/20 0.68
TUBB4B P68371 2/20 0.68
TUBB3 Q13509 2/20 0.68
TUBB2A Q13885 2/20 0.68
TUBB8 Q3ZCM7 2/20 0.68
TUBA3E Q6PEY2 2/20 0.68
TUBA1A Q71U36 2/20 0.68
TUBA1C Q9BQE3 2/20 0.68

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
SCHEMBL25233853 1.00 RELA (0.71) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL13267811 1.00 RELA (0.71) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL14950253 0.92 RELA (0.81) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL4881152 0.92 RELA (0.81) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL699457 0.92 RELA (0.81) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL699458 0.92 RELA (0.81) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL13790336 0.92 RELA (0.81) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL631998 0.92 RELA (0.81) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL8350728 0.89 KDM4E (0.87) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL23908223 0.88 RELA (0.57) RELATRPA1CYP1A2CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080121838-A1 Optical brightener additive to cements and primers IPS CORPORATION 2008-05-29 US claimed
EP-3823811-B1 PRODUCTION OF MOLDED BODIES FROM AN INORGANIC-ORGANIC HYBRID POLYMER WITH HIGH RESOLUTION USING 3D PRINTING, MOLDED BODIES WITH A HIGH FLEXURAL STRENGTH AND ELASTIC MODULUS, AND THE USE THEREOF FOR DENTAL PURPOSES FRAUNHOFER GES FORSCHUNG (DE) 2023-11-08 EP disclosed
US-11618211-B2 Production of molded bodies from an inorganic-organic hybrid polymer with high resolution using 3D printing, molded bodies with a high flexural strength and elastic modulus, and the use thereof for dental purposes FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2023-04-04 US disclosed
WO-2023012058-A1 DENTAL IMPLANT MESOSTRUCTURES HAVING A SHAPE MEMORY EFFECT Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2023-02-09 WO disclosed
US-20210354370-A1 MATERIAL SYSTEM AND METHOD FOR PRODUCING PATIENT-SPECIFIC COMFORT EAR ADAPTERS FOR ACOUSTIC HEARING, AUDIO, AND HEARING PROTECTION INDUSTRY FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2021-11-18 US disclosed
US-20210299950-A1 PRODUCTION OF MOLDED BODIES FROM AN INORGANIC-ORGANIC HYBRID POLYMER WITH HIGH RESOLUTION USING 3D PRINTING, MOLDED BODIES WITH A HIGH FLEXURAL STRENGTH AND ELASTIC MODULUS, AND THE USE THEREOF FOR DENTAL PURPOSES FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2021-09-30 US disclosed
US-20180320098-A1 PROCESS FOR ENHANCING GASOLINE OCTANE BOOSTERS, GASOLINE BOOSTERS, AND GASOLINES SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-11-08 US disclosed
EP-3383977-A1 PROCESS FOR ENHANCING GASOLINE OCTANE BOOSTERS, GASOLINE BOOSTERS, AND GASOLINES SABIC Global Technologies B.V. (NL) 2018-10-10 EP disclosed
EP-2325385-B1 COMPOSITION FOR THE IMPREGNATION OF FIBERS, FABRICS AND NETTINGS IMPARTING A PROTECTIVE ACTIVITY AGAINST PESTS BASF SE (DE) 2017-10-04 EP disclosed
WO-2017093913-A1 PROCESS FOR ENHANCING GASOLINE OCTANE BOOSTERS, GASOLINE BOOSTERS, AND GASOLINES SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-06-08 WO disclosed
EP-2079298-A1 METHOD AND DEVICE FOR PROTECTING CROP PLANTS BASF SE (DE) 2009-07-22 EP disclosed
WO-2008151984-A1 AQUEOUS FORMULATION AND PROCESS FOR THE IMPREGNATION OF NON-LIVING-MATERIALS IMPARTING A PROTECTIVE ACTIVITY AGAINST PESTS BASF SE (DE) 2008-12-18 WO disclosed
US-20080199606-A1 Composition for the Impregnation of Fibers, Fabrics and Nettings Imparting a Protective Activity Against Pests BASF AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
US-20080121838-A1 Optical brightener additive to cements and primers IPS CORPORATION 2008-05-29 US disclosed
WO-2008052913-A1 METHOD AND DEVICE FOR PROTECTING CROP PLANTS BASF SE (DE) 2008-05-08 WO disclosed
US-20070196412-A1 Composition for the impregnation of fibers, fabrics and nettings imparting a protective activity against pests BASF AKTIENGESELLSCHAFT (DE) 2007-08-23 US disclosed
EP-1697578-A2 COMPOSITION FOR THE IMPREGNATION OF FIBERS, FABRICS AND NETTINGS IMPARTING A PROTECTIVE ACTIVITY AGAINST PESTS BASF AKTIENGESELLSCHAFT (DE) 2006-09-06 EP disclosed
WO-2005064072-A2 COMPOSITION FOR THE IMPREGNATION OF FIBERS, FABRICS AND NETTINGS IMPARTING A PROTECTIVE ACTIVITY AGAINST PESTS BASF AKTIENGESELLSCHAFT (DE) 2005-07-14 WO disclosed
US-4158099-A FROM SCHIFF BASES AND BIPHENYL COMPOUND CIBA-GEIGY AG (CH) 1979-06-12 US disclosed
US-3991049-A Aromatic compounds containing ethylene double bonds, processes for their manufacture and use CIBA-GEIGY AG (CH) 1976-11-09 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 (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-20070196412-A1 Composition for the impregnation of fibers, fabrics and nettings imparting a protective activity against pests GAP43, GRN, DDT RELA 4829/4885TRPA1 2530/4885CYP1A2 2203/4885
US-20080199606-A1 Composition for the Impregnation of Fibers, Fabrics and Nettings Imparting a Protective Activity Against Pests DDT, GAP43, WIZ RELA 4859/4885TRPA1 1642/4885CYP1A2 102/4885

“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.