SCHEMBL6424070

SCHEMBL6424070

O=[N+]([O-])c1ccccc1COC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ACHE P22303 1/20 0.46
HPGD P15428 1/20 0.44
MAOB P27338 1/20 0.44
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.41
KDM1A O60341 1/20 0.41
MGAM O43451 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
SCHEMBL18185041 0.98 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL18185005 0.95 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL29410360 0.95 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL18184944 0.92 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL16654855 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL18184971 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL26404317 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL18184984 0.80 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL4965091 0.80 KDM4E (0.46) KDM4EKMT2AHTTL3MBTL1
SCHEMBL18185010 0.77 TSHR (0.44) ALDH1A1KDM4EMEN1KMT2ATSHR

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-3088382-B1 METHOD FOR PRODUCING NITRO COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-07-11 EP disclosed
US-9561998-B2 Method for producing nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 US disclosed
US-20160318846-A1 METHOD FOR PRODUCING NITRO COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-11-03 US disclosed
EP-3088382-A1 METHOD FOR PRODUCING NITRO COMPOUND Sumitomo Chemical Company Limited (JP) 2016-11-02 EP disclosed
WO-2014194250-A2 NOVEL NANOCARRIER DELIVERED CANCER CHEMOTHERAPEUTIC AGENTS UNIVERSITY OF CINCINNATI (US) 2014-12-04 WO disclosed
US-20050187278-A1 Treatment or prevention of vascular disorders with Cox-2 inhibitors in combination with cyclic AMP-specific phosphodiesterase inhibitors PHARMACIA CORPORATION (US) 2005-08-25 US disclosed
US-20050119262-A1 Method for preventing or treating an optic neuropathy with a cox-2 inhibitor and an intraocular pressure reducing agent PHARMACIA CORPORATION (US) 2005-06-02 US disclosed
US-20050113409-A1 Method for the prevention or treatment of pain, inflammation and inflammation-related disorders with a Cox-2 selective inhibitor in combination with a nitric oxide-donating agent and compositions therewith PHARMACIA CORPORATION (US) 2005-05-26 US disclosed
US-20050107350-A1 Method for the treatment or prevention of bone disorders with a cyclooxygenase-2 inhibitor alone and in combination with a bone disorder treatment agent and compositions therewith PHARMACIA CORPORATION (US) 2005-05-19 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 (5 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-20160318846-A1 METHOD FOR PRODUCING NITRO COMPOUND NOS1, NOS3, NOS2 ALDH1A1 2305/4885KDM4E 1869/4885MEN1 2274/4885
US-20050187278-A1 Treatment or prevention of vascular disorders with Cox-2 inhibitors in combination with cyclic AMP-specific phosphodiesterase inhibitors PDE2A, PDE3A, PDE3B ALDH1A1 987/4885KDM4E 3237/4885MEN1 2764/4885
US-20050113409-A1 Method for the prevention or treatment of pain, inflammation and inflammation-related disorders with a Cox-2 selective inhibitor in combination with a nitric oxide-donating agent and compositions therewith PTGS2, NOS2, PTGES2 ALDH1A1 574/4885KDM4E 3655/4885MEN1 4448/4885
US-20050107350-A1 Method for the treatment or prevention of bone disorders with a cyclooxygenase-2 inhibitor alone and in combination with a bone disorder treatment agent and compositions therewith PTGS2, PTGES2, PTGS1 ALDH1A1 1192/4885KDM4E 2503/4885MEN1 2488/4885
US-20050119262-A1 Method for preventing or treating an optic neuropathy with a cox-2 inhibitor and an intraocular pressure reducing agent PTGS2, PTGS1, PTGES2 ALDH1A1 1551/4885KDM4E 3400/4885MEN1 2776/4885

“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.