SCHEMBL4907649

SCHEMBL4907649

C=C(C)C(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.50
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 4/20 0.48
HSPB1 P04792 3/20 0.48
MAPT P10636 3/20 0.48
GPR35 Q9HC97 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
CYP1A2 P05177 1/20 0.44
HIF1A Q16665 1/20 0.44
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42

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
SCHEMBL427368 0.89 ALDH1A1 (0.55) TTRMEN1KMT2AALDH1A1HSPB1
SCHEMBL29821424 0.89 ALDH1A1 (0.55) TTRMEN1KMT2AALDH1A1HSPB1
SCHEMBL823705 0.86 RECQL (0.56) TTRMEN1KMT2AALDH1A1HSPB1
SCHEMBL30318004 0.86 RECQL (0.56) TTRMEN1KMT2AALDH1A1HSPB1
SCHEMBL18328831 0.85 SMN1; SMN2 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL13592911 0.85 MEN1 (0.48) TTRMEN1KMT2AALDH1A1HSPB1
SCHEMBL1322478 0.84 TTR (0.52) TTRMEN1KMT2AALDH1A1HSPB1
SCHEMBL1322476 0.84 TTR (0.52) TTRMEN1KMT2AALDH1A1HSPB1
SCHEMBL1220299 0.82 ALDH1A1 (0.55) TTRMEN1KMT2AALDH1A1HSPB1
SCHEMBL29379815 0.82 ALDH1A1 (0.55) TTRMEN1KMT2AALDH1A1HSPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115466428-A Bactericidal and acarid-removing pillow and preparation method thereof 余亮 2022-12-13 CN claimed
CN-115466428-A Bactericidal and acarid-removing pillow and preparation method thereof 余亮 2022-12-13 CN disclosed
US-20080194673-A1 Environment-Friendly Pollution-Proof Agent SOONCHUNHYANG UNIVERSITY INDUSTRY ACADEMY COOPERATION FOUNDATION (KR) 2008-08-14 US disclosed
US-20080071005-A1 Environment-Friendly Pollution-Proof Agent SOONCHUNHYANG UNIVERSITY INDUSTRY ACADEMY COOPERATION FOUNDATION (KR) 2008-03-20 US disclosed
US-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 US disclosed
US-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
US-6491903-B1 NARROW MOLECULAR WEIGHT DISTRIBUTION SHELL-CORE POLYMERS HAVING HYDROPHILIC, CROSSLINKED PERMEABLE SHELLS AND HYDROPHOBIC CORES, USED FOR REDUCING BLOOD CHOLESTEROL AND BILE ACID UPTAKE IN INTERSTINES; DRUG DELIVERY WASHINGTON UNIVERSITY 2002-12-10 US disclosed
US-6383500-B1 Particles comprising amphiphilic copolymers, having a crosslinked shell domain and an interior core domain, useful for pharmaceutical and other applications WASHINGTON UNIVERSITY 2002-05-07 US disclosed
EP-0674325-A2 Electrically insulating polymer composition and wire or cable using the same Nippon Petrochemicals Co., Ltd. (JP) 1995-09-27 EP disclosed
US-5304619-A Containing nitrile or nitro polar groups; high voltage NIPPON PETROCHEMICALS CO., LTD. (JP) 1994-04-19 US disclosed
EP-0463402-A2 Ethylene polymers or copolymers having improved insulating properties, compositions, and power cables made therefrom NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-01-02 EP 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-20080194673-A1 Environment-Friendly Pollution-Proof Agent TST, TBCD, TBCA TTR 519/4885MEN1 4753/4885KMT2A 2183/4885

“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.