SCHEMBL2948853

SCHEMBL2948853

NCCNCCO[Ti](=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.43
CA6 P23280 5/20 0.43
CA7 P43166 5/20 0.43
CA9 Q16790 5/20 0.43
CA14 Q9ULX7 5/20 0.43
CA5B Q9Y2D0 5/20 0.43
MEN1 O00255 2/20 0.43
RECQL P46063 2/20 0.43
KMT2A Q03164 2/20 0.43
CA2 P00918 4/20 0.42
CA4 P22748 4/20 0.42
CA5A P35218 4/20 0.42
LMNA P02545 3/20 0.42
CA3 P07451 3/20 0.42
ALOX15 P16050 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CA1 P00915 2/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL5614210 0.89 CA12 (0.44) CA12CA6CA7CA9CA14
SCHEMBL3475283 0.77
Ethylenediamine SCHEMBL512881 0.69 CA12 (0.91) CA12CA6CA7CA9CA14
SCHEMBL30789176 0.69
SCHEMBL10947237 0.68 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL8015113 0.68 CA12 (0.62) CA12CA6CA7CA9CA14
Ethylenediamine SCHEMBL669975 0.67 CYP1A2 (0.33) ALOX15CYP1A2
Spermine SCHEMBL15688130 0.67 CA12 (0.68) CA12CA6CA7CA9CA14
Ethylenediamine SCHEMBL175648 0.67 CYP1A2 (0.33) ALOX15CYP1A2
SCHEMBL1135115 0.67 CA12 (0.46) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962734-B2 Phenol resin molding material and pulley molded from said molding material JTEKT CORPORATION (JP) 2015-02-24 US claimed
WO-2010044557-A2 ELECTRODE FOR SECONDARY BATTERY, FABRICATION METHOD THEREOF, AND SECONDARY BATTERY COMPRISING SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-22 WO claimed
US-20100092866-A1 ELECTRODE FOR SECONDARY BATTERY, FABRICATION METHOD THEREOF, AND SECONDARY BATTERY COMPRISING SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 US claimed
EP-0462570-B1 Magnetic recording medium MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 1997-11-19 EP claimed
EP-0131067-B2 Conductive synthetic resin molding material TOSHIBA CHEM CORP (JP) 1995-08-16 EP claimed
JP-4088066-A None JP disclosed
US-20240239935-A1 NITRILE GROUP-CONTAINING COPOLYMER RUBBER, RUBBER COMPOSITION AND CROSSLINKED RUBBER ZEON CORPORATION (JP) 2024-07-18 US disclosed
US-20240217907-A1 PHENOL MIXTURE, EPOXY RESIN, EPOXY RESIN COMPOSITION, CURED PRODUCT, AND ELECTRICAL/ELECTRONIC COMPONENT MITSUBISHI CHEMICAL CORPORATION (JP) 2024-07-04 US disclosed
US-11763964-B2 Electrically insulated cable and harness integrated with sensor SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 2023-09-19 US disclosed
WO-2023085357-A1 THERMOSETTING RESIN COMPOSITION AND STATOR 住友ベークライト株式会社 2023-05-19 WO disclosed
US-20220411555-A1 NITRILE-GROUP-CONTAINING COPOLYMER RUBBER ZEON CORPORATION (JP) 2022-12-29 US disclosed
EP-4024413-A1 ELECTRICALLY INSULATED CABLE AND SENSOR-INTEGRATED HARNESS SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 2022-07-06 EP disclosed
US-5604015-A SUBSTRATE HAVING UNDERCOATING LAYER COMPRISING BINDER RESIN AND NONMAGNETIC PARTICLES SELECTED FROM ACICULAR OR SPINDLE-SHAPED FERRIC OXIDE PARTICLES COATED WITH ALUMINUM AND/OR SILICON OXIDE OR HYDROXIDE AND BARIUM IRON OXIDE TODA KOGYO CORPORATION (JP) 1997-02-18 US disclosed
US-5587232-A IRON OXIDE PARTICLES COATED WITH SILANE, ALUMINUM, TITANIUM, OR ZIRCONIUM COUPLING AGENT; SURFACE SMOOTHNESS, HIGH STRENGTH TODA KOGYO CORPORATION (JP) 1996-12-24 US disclosed
EP-0710990-A2 Photovoltaic element and method for producing the same CANON KABUSHIKI KAISHA (JP) 1996-05-08 EP disclosed
US-5252415-A Charging surface, forming latent image by dot-wise exposure, developing, using photoreceptor which exhibits peak in differential coefficient to exposure curve KONICA CORPORATION (JP) 1993-10-12 US disclosed
JP-H0488066-A PRIMER COMPOSITION AND RESIN-COATED METAL SEKISUI CHEM CO LTD 1992-03-19 JP disclosed
US-5002637-A Reactive Silicone Oligomer HONSHU PAPER CO. LTD. (JP) 1991-03-26 US disclosed
US-4891399-A METALLIC FILLER, MACHINABILITY CALP CORPORATION (JP) 1990-01-02 US disclosed
US-4100076-A FLAME RETARDANTS THE HARSHAW CHEMICAL COMPANY (US) 1978-07-11 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 (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-20240217907-A1 PHENOL MIXTURE, EPOXY RESIN, EPOXY RESIN COMPOSITION, CURED PRODUCT, AND ELECTRICAL/ELECTRONIC COMPONENT ESR1, EED, PTGES CA12 4556/4885CA6 4670/4885CA7 4083/4885

“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.