SCHEMBL330724

SCHEMBL330724

C=C(c1ccc(N=C=O)cc1)c1ccc(N=C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TRPA1 O75762 2/20 0.39
CYP1A2 P05177 1/20 0.37
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL4935768 0.83 CYP3A4 (0.47) CYP3A4TSHRMAPTMAPK1TDP1
SCHEMBL13811504 0.83 CYP3A4 (0.52) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL10488686 0.81 CYP3A4 (0.54) CYP3A4TSHRMAPTMAPK1TDP1
SCHEMBL15430 0.80 CYP3A4 (0.70) CYP3A4TSHRHSD17B10MAPK1TDP1
SCHEMBL28735105 0.79 CYP3A4 (0.44) CYP3A4TSHRMAPTHSD17B10MAPK1
SCHEMBL308386 0.79 CYP3A4 (0.52) CYP3A4TSHRMAPTHTTMAPK1
SCHEMBL31650976 0.79 CYP3A4 (0.52) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL4260090 0.78 CYP3A4 (0.42) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL4667307 0.78 CYP3A4 (0.42) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL1878165 0.77 TSHR (0.55) CYP3A4TSHRMAPTTRPA1MEN1

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 846 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
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION 2021-08-12 US claimed
WO-2021158366-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION (US) 2021-08-12 WO claimed
EP-3539998-A1 METHOD FOR MANUFACTURING RESIN FOR URETHANE-BASED OPTICAL MATERIAL, RESIN COMPOSITION FOR SAME, AND OPTICAL MATERIAL MANUFACTURED THEREBY Koc Solution Co.,LTD. (KR) 2019-09-18 EP claimed
EP-2682430-B2 METHOD FOR MANUFACTURING RESIN FOR THIOURETHANE-BASED OPTICAL MATERIAL USING UNIVERSAL POLYISOCYANATE COMPOUND, RESIN COMPOSITION, AND OPTICAL MATERIAL MANUFACTURED THEREBY KOC SOLUTION CO LTD (KR) 2019-07-17 EP claimed
EP-2682430-B1 METHOD FOR MANUFACTURING RESIN FOR THIOURETHANE-BASED OPTICAL MATERIAL USING UNIVERSAL POLYISOCYANATE COMPOUND, RESIN COMPOSITION, AND OPTICAL MATERIAL MANUFACTURED THEREBY KOC SOLUTION CO LTD (KR) 2015-10-21 EP claimed
US-20150226879-A1 METHOD OF MANUFACTURING THIOURETHANE - BASED OPTICAL MATERIAL KOC SOLUTION CO., LTD. (KR) 2015-08-13 US claimed
EP-2891672-A1 METHOD FOR MANUFACTURING THIOURETHANE-BASED OPTICAL MATERIAL KOC Solution Co. Ltd. (KR) 2015-07-08 EP claimed
US-20140039145-A1 METHOD OF PRODUCING RESIN FOR THIOURETHANE-BASED OPTICAL MATERIAL USING GENERAL-PURPOSE POLYISOCYANATE COMPOUND, RESIN COMPOSITION FOR THIOURETHANE-BASED OPTICAL MATERIAL AND THIOURETHANE-BASED OPTICAL MATERIAL INCLUDING RESIN PRODUCED BY THE METHOD KOC SOLUTION CO LTD (KR) 2014-02-06 US claimed
EP-2682430-A2 METHOD FOR MANUFACTURING RESIN FOR THIOURETHANE-BASED OPTICAL MATERIAL USING UNIVERSAL POLYISOCYANATE COMPOUND, RESIN COMPOSITION, AND OPTICAL MATERIAL MANUFACTURED THEREBY Koc Solution Co.,LTD. (KR) 2014-01-08 EP claimed
US-20130303721-A1 METHOD FOR MANUFACTURING RESIN FOR URETHANE-BASED OPTICAL MATERIAL, RESIN COMPOSITION FOR SAME, AND OPTICAL MATERIAL MANUFACTURED THEREBY MITSUI CHEMICALS, INC. (JP) 2013-11-14 US claimed
EP-2660262-A2 METHOD FOR MANUFACTURING RESIN FOR URETHANE-BASED OPTICAL MATERIAL, RESIN COMPOSITION FOR SAME, AND OPTICAL MATERIAL MANUFACTURED THEREBY Koc Solution Co.,LTD. (KR) 2013-11-06 EP claimed
EP-4748866-A1 AQUEOUS POLYURETHANE DISPERSIONS AND APPLICATIONS THEREOF Covestro Deutschland AG (DE) 2026-05-27 EP disclosed
US-12606692-B2 Spectacle lens HOYA LENS THAILAND LTD. (TH) 2026-04-21 US disclosed
US-12590232-B2 Multi-region foldable adhesive film and fabrication method therefor XINMEI FONTANA HOLDING (HONG KONG) LIMITED (CN) 2026-03-31 US disclosed
EP-3983466-B1 AQUEOUS POLYURETHANE DISPERSION COVESTRO DEUTSCHLAND AG (DE) 2026-02-18 EP disclosed
EP-0329388-A2 Plastic lenses having high-refractive index and process for the preparation thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-08-23 EP disclosed
US-4211850-A Polyhydroxy compounds containing urethane aryl sulfonic acid hydroxyalkyl ester groups BAYER AKTIENGESELLSCHAFT (DE) 1980-07-08 US disclosed
US-4189562-A Polyhydroxy compounds containing urethane aryl sulfonic acid hydroxyalkyl ester groups BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US disclosed
US-4147653-A Storable mixtures containing aromatic isocyanatosulphonic acids BAYER AKTIENGESELLSCHAFT (DE) 1979-04-03 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-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds SIRT3, SLC6A12, HCN2 CYP3A4 4039/4885TSHR 4711/4885MAPT 1603/4885
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS SIRT3, SLC6A12, HCN2 CYP3A4 4039/4885TSHR 4711/4885MAPT 1603/4885
US-12590232-B2 Multi-region foldable adhesive film and fabrication method therefor CDH1, SMCHD1, VCL CYP3A4 1017/4885TSHR 3097/4885MAPT 892/4885
US-12606692-B2 Spectacle lens POT1, TCOF1, CRY1 CYP3A4 4631/4885TSHR 329/4885MAPT 551/4885

“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.