SCHEMBL8729993

SCHEMBL8729993

O=C=NC1CCC(N=C=O)C2CCCCC12

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
EPHX1 P07099 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL20932711 0.92 ALDH1A1 (0.48) ALDH1A1
SCHEMBL1231779 0.90 ALDH1A1 (0.44) ALDH1A1
SCHEMBL23828866 0.82 ALDH1A1 (0.42) ALDH1A1
SCHEMBL5439892 0.81 ALDH1A1 (0.43) ALDH1A1
SCHEMBL4048773 0.81 ALDH1A1 (0.48) ALDH1A1EPHX1HIF1A
SCHEMBL9323923 0.80 ALDH1A1 (0.57) ALDH1A1EPHX1HIF1A
SCHEMBL26012 0.80 ALDH1A1 (0.57) ALDH1A1EPHX1HIF1A
SCHEMBL5460574 0.80 ALDH1A1 (0.57) ALDH1A1EPHX1HIF1A
SCHEMBL7264968 0.80 ALDH1A1 (0.48) ALDH1A1
SCHEMBL502747 0.80 ALDH1A1 (0.48) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4664979-A DURABLE MAGNETIC TAPES FUJI PHOTO FILM CO., LTD. (JP) 1987-05-12 US claimed
JP-10194869-A None JP disclosed
US-12503575-B2 Fine hollow particles comprising melamine-based resin KAGOSHIMA UNIVERSITY (JP) 2025-12-23 US disclosed
US-20240301171-A1 NOVEL FINE HOLLOW PARTICLES COMPRISING MELAMINE-BASED RESIN KAGOSHIMA UNIVERSITY (JP) 2024-09-12 US disclosed
US-20240084067-A1 NOVEL CURABLE COMPOSITION CONTAINING CYCLIC MONOMER TOKUYAMA CORPORATION (JP) 2024-03-14 US disclosed
EP-4286434-A1 NOVEL FINE HOLLOW PARTICLES COMPRISING MELAMINE-BASED RESIN Kagoshima University (JP) 2023-12-06 EP disclosed
EP-4286435-A1 NOVEL CURABLE COMPOSITION CONTAINING CYCLIC MONOMER Tokuyama Corporation (JP) 2023-12-06 EP disclosed
CN-112105676-B Low water content polyrotaxane monomer and curable composition containing the same 株式会社德山 2023-08-29 CN disclosed
US-20230265053-A1 POLYFUNCTIONAL QUATERNARY AMMONIUM SALT OF SULFONIC ACID HAVING ACTIVE-HYDROGEN GROUPS TOKUYAMA CORPORATION (JP) 2023-08-24 US disclosed
US-20230211454-A1 LAMINATED POLISHING PAD TOKUYAMA CORPORATION (JP) 2023-07-06 US disclosed
CN-115428128-A Hollow microspheres 株式会社德山 2022-12-02 CN disclosed
WO-2022163756-A1 HOLLOW MICROBALLOON 株式会社トクヤマ 2022-08-04 WO disclosed
CN-111954691-B Urethane resin using polyrotaxane and polishing pad 株式会社德山 2022-04-22 CN disclosed
US-20210122874-A1 LOW MOISTURE CONTENT POLYROTAXANE MONOMER AND CURABLE COMPOSITION COMPRISING SAID MONOMER TOKUYAMA CORPORATION (JP) 2021-04-29 US disclosed
EP-3795608-A1 LOW MOISTURE CONTENT POLYROTAXANE MONOMER AND CURABLE COMPOSITION COMPRISING SAID MONOMER Tokuyama Corporation (JP) 2021-03-24 EP disclosed
CN-112105676-A Low water content polyrotaxane monomer and curable composition containing the same 株式会社德山 2020-12-18 CN disclosed
US-20200071467-A1 Polyrotaxane, Production Method Therefor, and Optical Composition Containing said Polyrotaxane TOKUYAMA CORPORATION (JP) 2020-03-05 US disclosed
US-20180312643-A1 Polyrotaxane, Production Method Therefor, and Optical Composition Containing said Polyrotaxane TOKUYAMA CORPORATION (JP) 2018-11-01 US disclosed
EP-3345954-A1 POLYROTAXANE, PRODUCTION METHOD THEREFOR, AND OPTICAL COMPOSITION CONTAINING SAID POLYROTAXANE Tokuyama Corporation (JP) 2018-07-11 EP disclosed
JP-H10194869-A SURFACE TREATING AGENT FOR REFRACTORY KOBE RIKAGAKU KOGYO KK 1998-07-28 JP 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-20230265053-A1 POLYFUNCTIONAL QUATERNARY AMMONIUM SALT OF SULFONIC ACID HAVING ACTIVE-HYDROGEN GROUPS ASS1, PUF60, ARG1 ALDH1A1 2251/4885EPHX1 4161/4885HIF1A 462/4885

“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.