SCHEMBL1476006

SCHEMBL1476006

O=[N+]([O-])CCC1OCCO1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
HBB P68871 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL6796138 0.86 ALDH1A1 (0.39) ALDH1A1TDP1NOS3NOS1NOS2
SCHEMBL28326283 0.73
SCHEMBL5799232 0.73 NOS3 (0.44) ALDH1A1NOS3NOS1NOS2
SCHEMBL13685972 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7920979 0.69 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11530187 0.67
SCHEMBL28424185 0.66 SLC6A2 (0.37) NOS3NOS1NOS2
SCHEMBL1359000 0.66
SCHEMBL11135965 0.64
SCHEMBL8201975 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102731456-B Antitumor compound, its preparation method and application UNIV HUAZHONG SCIENCE TECH 2014-07-09 CN claimed
CN-102731456-A Antitumor compound, its preparation method and application UNIV HUAZHONG SCIENCE TECH 2012-10-17 CN claimed
JP-58109475-A None JP disclosed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
EP-3856178-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-03-11 EP disclosed
US-20250360234-A1 RADIOLABELLED MGL PET LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2025-11-27 US disclosed
US-12383635-B2 Radiolabelled MGL PET ligands JANSSEN PHARMACEUTICA NV (BE) 2025-08-12 US disclosed
EP-4038070-B1 RADIOLABELLED MGL PET LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2025-07-09 EP disclosed
CN-114555596-B Radiolabelled MGL PET ligands 詹森药业有限公司 2025-02-25 CN disclosed
US-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2025-01-30 US disclosed
CN-119029301-A Electrolyte for lithium ion battery and lithium ion battery 中国科学技术大学 2024-11-26 CN disclosed
CN-1189823-A Cyclic amidino formulations useful as nitric oxide synthase inhibitors SEARLE & CO (US) 1998-08-05 CN disclosed
EP-0824523-A1 NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES G.D. Searle & Co. (US) 1998-02-25 EP disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996035677-A1 NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES G.D. SEARLE & CO. (US) 1996-11-14 WO disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed
EP-0095495-A1 SYNTHESIS OF MILBEMYCIN AND AVERMECTIN MACROLIDES UNIVERSITY PATENTS, INC. (US) 1983-12-07 EP disclosed
US-4408059-A Spiroketals useful as intermediates in the synthesis of milbemycin and avermectin macrolides UNIVERSITY PATENTS, INC. (US) 1983-10-04 US disclosed
JP-S58109475-A 5,5-DISUBSTITUTED ISOXAZOLINE DERIVATIVE DAI ICHI SEIYAKU CO LTD 1983-06-29 JP disclosed
WO-1983001953-A1 SYNTHESIS OF MILBEMYCIN AND AVERMECTIN MACROLIDES UNIVERSITY PATENTS INC (US) 1983-06-09 WO 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 (4 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-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 ALDH1A1 1971/4885TDP1 483/4885NOS3 3516/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH ALDH1A1 587/4885TDP1 1095/4885NOS3 2454/4885
US-12383635-B2 Radiolabelled MGL PET ligands MGLL, LPL, LIPC ALDH1A1 2498/4885TDP1 3233/4885NOS3 3216/4885
US-20250360234-A1 RADIOLABELLED MGL PET LIGANDS MGLL, LPL, LIPC ALDH1A1 2486/4885TDP1 3052/4885NOS3 3383/4885

“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.