SCHEMBL387552

SCHEMBL387552

O=C=Nc1cccc(Cc2cccc(N=C=O)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.57
TSHR P16473 1/20 0.57
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TRPA1 O75762 1/20 0.41
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
NOS1 P29475 9/20 0.36
NOS2 P35228 5/20 0.35
CHRNA7 P36544 3/20 0.35
NOS3 P29474 3/20 0.34
CALM1 P0DP23 1/20 0.33

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
SCHEMBL29854874 1.00 CYP3A4 (0.57) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL1191679 0.94 CYP3A4 (0.57) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL1683975 0.93 CYP3A4 (0.71) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL6805641 0.88 CYP3A4 (0.47) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL22080193 0.87 CYP3A4 (0.44) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL20124020 0.85 CYP3A4 (0.61) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL842651 0.84 MAPK1 (0.46) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL31182115 0.84 CYP3A4 (0.44) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL58461 0.84 GABRA1 (0.50) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL125649 0.84 CYP3A4 (0.44) CYP3A4TSHRCYP1A2MAPK1TDP1

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 1150 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds ENEVATE CORP (US) 2024-10-03 US claimed
CN-117999255-A Method for producing at least one aromatic isocyanate 巴斯夫欧洲公司 2024-05-07 CN claimed
WO-2023041781-A1 A PROCESS FOR PREPARING AT LEAST ONE AROMATIC ISOCYANATE BASF SE (DE) 2023-03-23 WO claimed
US-11427684-B2 Photopatterned planarization layers for flexible electronics ARES Materials, Inc. (US) 2022-08-30 US claimed
CN-114408895-A Multifunctional high-porosity high-thermal-conductivity carbon aerogel based on polymer aerogel and preparation method thereof 福州大学 2022-04-29 CN claimed
US-11091581-B2 Coated polyester films DUPONT TEIJIN FILMS U.S. LIMITED PARTNERSHIP (US) 2021-08-17 US claimed
WO-2021158366-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION (US) 2021-08-12 WO claimed
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION 2021-08-12 US claimed
US-20210147631-A1 PHOTOPATTERNED PLANARIZATION LAYERS FOR FLEXIBLE ELECTRONICS ARES Materials, Inc. 2021-05-20 US claimed
US-20200316904-A1 MULTILAYER STRUCTURE, PRODUCTION AND USE THEREOF COVESTRO DEUTSCHLAND AG (DE) 2020-10-08 US claimed
US-4820745-A SOLVENT-FREE HUELS TROISDORF AKTIENGESELLSCHAFT (DE) 1989-04-11 US claimed
EP-0297252-A2 Crosslinked polyetherurethane membranes useful in blood electrolyte sensors Becton, Dickinson and Company (US) 1989-01-04 EP claimed
US-4743629-A Crosslinked polyetherurethane membranes useful in blood electrolyte sensors BECTON, DICKINSON AND COMPANY (US) 1988-05-10 US claimed
US-4287255-A HAVING A RELEASE SURFACE AND AN ADHESIVE LAYER CONTAINING A PHOTOPOLYMERIZABLE COMPOUND AND A CURED POLYMER STRIP AVERY INTERNATIONAL CORPORATION (US) 1981-09-01 US claimed
US-4118442-A Anaerobic pressure sensitive adhesive composition AVERY PRODUCTS CORPORATION (US) 1978-10-03 US claimed
US-4092374-A Anaerobic pressure sensitive adhesive composition AVERY PRODUCTS CORPORATION (US) 1978-05-30 US claimed
US-4092376-A Anaerobic pressure sensitive adhesive composition AVERY PRODUCTS CORPORATION (US) 1978-05-30 US claimed
US-4039705-A SHEETS AND TAPES, TWO DIFFERENTIAL RELEASE SURFACES AVERY INTERNATIONAL CORPORATION (US) 1977-08-02 US claimed
US-3996308-A Anaerobic pressure sensitive adhesive composition AVERY PRODUCTS CORPORATION (US) 1976-12-07 US claimed
US-3993815-A Anaerobic pressure sensitive adhesive stocks AVERY PRODUCTS CORPORATION (US) 1976-11-23 US claimed

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-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds SIRT3, SLC6A12, HCN2 CYP3A4 4039/4885TSHR 4711/4885CYP1A2 4588/4885
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS SIRT3, SLC6A12, HCN2 CYP3A4 4039/4885TSHR 4711/4885CYP1A2 4588/4885

“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.