SCHEMBL1229014

SCHEMBL1229014

[CH2]CCCCCCCCC[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
BLM P54132 1/20 0.35
HBB P68871 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
TSHR P16473 1/20 0.32

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
SCHEMBL1228293 1.00 ALDH1A1 (0.56) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL1227560 1.00 ALDH1A1 (0.56) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL1228962 1.00 ALDH1A1 (0.56) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL1228470 1.00 ALDH1A1 (0.56) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL503757 1.00
SCHEMBL1228122 1.00 ALDH1A1 (0.56) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL88643 0.97
SCHEMBL144222 0.88
SCHEMBL1311257 0.85 ALDH1A1 (0.72) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL16341166 0.85 ALDH1A1 (0.72) ALDH1A1TDP1MEN1LMNABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210088524-A1 IMAGING AGENT UNIVERSITY OF LANCASTER (GB) 2021-03-25 US disclosed
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 US disclosed
WO-2018185493-A1 IMAGING AGENT UNIVERSITY OF LANCASTER (GB) 2018-10-11 WO disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 US disclosed
EP-3015516-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL Nippon Kayaku Kabushiki Kaisha (JP) 2016-05-04 EP disclosed
EP-2243805-B1 ANTHRAPYRIDONE COMPOUND OR SALT THEREOF, MAGENTA INK COMPOSITION CONTAINING THE ANTHRAPYRIDONE COMPOUND, AND COLORED BODY NIPPON KAYAKU KK (JP) 2014-11-26 EP disclosed
CN-101925658-B Anthrapyridone compound or salt thereof, magenta ink composition containing anthrapyridone compound, and colored body NIPPON KAYAKU KK 2013-10-02 CN disclosed
US-8496849-B2 Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display device JSR CORPORATION (JP) 2013-07-30 US disclosed
EP-2256541-B1 A LIQUID CRYSTAL ORIENTATING AGENT, A LIQUID CRYSTAL ORIENTATING FILM AND A LIQUID CRYSTAL DISPLAY ELEMENT JSR CORP (JP) 2012-12-05 EP disclosed
CN-101889243-B A liquid crystal orientating agent, a liquid crystal orientating film and a liquid crystal display element JSR CORP 2012-10-17 CN disclosed
CN-101889243-A A liquid crystal orientating agent, a liquid crystal orientating film and a liquid crystal display element JSR CORP 2010-11-17 CN disclosed
EP-2243805-A1 ANTHRAPYRIDONE COMPOUND OR SALT THEREOF, MAGENTA INK COMPOSITION CONTAINING THE ANTHRAPYRIDONE COMPOUND, AND COLORED BODY Nippon Kayaku Kabushiki Kaisha (JP) 2010-10-27 EP disclosed
EP-0189774-B1 PROCESS FOR PRODUCTION OF N,N-DISUBSTITUTED CARBOXYLIC ACID AMIDES TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1989-04-12 EP disclosed
EP-0189774-A1 Process for production of N,N-disubstituted carboxylic acid amides TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1986-08-06 EP disclosed
US-4276290-A VETERINARY MEDICINE ROHM AND HAAS COMPANY (US) 1981-06-30 US disclosed
US-4234575-A PARASITICIDES; TABLETS ROHM AND HAAS COMPANY (US) 1980-11-18 US disclosed
US-4183921-A TREATMENT OF INTESTINAL PARASITES IN MAMMALS AND BIRDS ROHM AND HAAS COMPANY (US) 1980-01-15 US disclosed
US-4170648-A Phosphonothioureide anthelmintics ROHM AND HAAS COMPANY (US) 1979-10-09 US disclosed
US-4086336-A Phosphonothioureide anthelmintics ROHM AND HAAS COMPANY (US) 1978-04-25 US disclosed
US-4076809-A Phosphonoureide and phosphonothioureide anthelmintics ROHM AND HAAS COMPANY (US) 1978-02-28 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-20210088524-A1 IMAGING AGENT PEX3, IDH1, PEX14 ALDH1A1 1312/4885TDP1 1316/4885MEN1 93/4885

“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.