SCHEMBL265334

SCHEMBL265334

CC(c1cccc2ccccc12)[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 1/20 0.44
RXRA P19793 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL5690907 0.78 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL5690911 0.77 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL5691918 0.77 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL6414482 0.77 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL5691915 0.77 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL11523492 0.76 CYP1A2 (0.39) ALDH1A1CYP1A2TSHRLMNACYP3A4
SCHEMBL5623819 0.76 ADRB2 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL27548 0.75 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL20560402 0.75 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL6286423 0.75 KIF11 (0.47) ALDH1A1CYP1A2TSHRCYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1655070-B1 OXIDATION CATALYST ASAHI KASEI CHEMICALS CORP (JP) 2015-07-15 EP disclosed
US-8133834-B2 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2012-03-13 US disclosed
CN-1835800-B Oxidation catalyst ASAHI CHEMICAL CORP (JP) 2010-04-28 CN disclosed
US-20100069670-A1 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-03-18 US disclosed
WO-2009038411-A2 BETA-SECRETASE INHIBITING COMPOUNDS HAVING OXO-DIHYDRO-PYRAZOLE MOIETY LG LIFE SCIENCES, LTD. (KR) 2009-03-26 WO disclosed
US-20060229471-A1 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2006-10-12 US disclosed
CN-1835800-A Oxidation catalyst ASAHI CHEMICAL CORP (JP) 2006-09-20 CN disclosed
EP-1655070-A1 OXIDATION CATALYST Asahi Kasei Chemicals Corporation (JP) 2006-05-10 EP disclosed
US-5106861-A Method of using certain tetralin derivatives to produce analgesic relief MERRELL DOW PHARMACEUTICALS INC. (US) 1992-04-21 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 (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-20100069670-A1 Oxidation catalyst PPOX, SOD1, HAO2 ALDH1A1 377/4885CYP1A2 131/4885CYP2C9 408/4885
US-20060229471-A1 Oxidation catalyst PPOX, SOD1, HAO2 ALDH1A1 377/4885CYP1A2 131/4885CYP2C9 408/4885

“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.