SCHEMBL439675

SCHEMBL439675

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

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA4 P22748 4/20 0.34
CA9 Q16790 4/20 0.34
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.31

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
SCHEMBL11792981 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL28277555 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL1773954 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL437092 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL27281565 0.90 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA4
SCHEMBL417312 0.90 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA4
SCHEMBL10582055 0.87 MEN1 (0.52) ALDH1A1CA12CA1CA2CA4
SCHEMBL1830737 0.87 ALDH1A1 (0.37) ALDH1A1CA12CA1CA2CA4
SCHEMBL9509397 0.87 ALDH1A1 (0.37) ALDH1A1CA12CA1CA2CA4
SCHEMBL1774061 0.87 ALDH1A1 (0.38) ALDH1A1CA12CA1CA2CA4

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 1204 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3433086-B1 ENERGETIC MATERIALS TNO (NL) 2026-05-06 EP claimed
US-20260115188-A1 METHODS OF TREATING CENTERAL NERVOUS SYSTEM DISORDERS COMPRISING ADMINISTERING DEUTERATED LUMATEPERONE AND A NITRIC OXIDE DONOR INTRA-CELLULAR THERAPIES, INC. (US) 2026-04-30 US claimed
US-20260110607-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES WITH MINIMIZED FALSE POSITIVES ALTI LLC (US) 2026-04-23 US claimed
US-12590249-B2 Etchant composition SAMSUNG ELECTRONICS CO., LTD. (KR) 2026-03-31 US claimed
US-12517047-B2 Transport and detection of explosive samples ALTI LLC (US) 2026-01-06 US claimed
US-12478623-B2 Methods of treating central nervous system disorders comprising administering lumateperone and a nitric oxide donor INTRA-CELLULAR THERAPIES, INC. (US) 2025-11-25 US claimed
EP-4634138-A1 NEW METHOD FOR SUSTAINABLE MANURE MANAGEMENT DSM IP Assets B.V. (NL) 2025-10-22 EP claimed
US-20250237601-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES ALTI LLC 2025-07-24 US claimed
US-20250236569-A1 Lead-free Ballistic Modifier for Rocket Motor Propellants USA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2025-07-24 US claimed
US-20250011476-A1 ARTICLES COMPRISING CROSSLINKED POLYMER NETWORK COMPRISING THIOETHER CROSSLINKS AND PROCESS OF MAKING AND USING SAME US GOV AIR FORCE (US) 2025-01-09 US claimed
US-4339288-A Gas generating composition Stang, Peter (US) 1982-07-13 US claimed
US-4336085-A MODIFYING THE DETONATION VELOCITY WALKER FRANKLIN E 1982-06-22 US claimed
US-4304614-A AMMUNITION, DYNAMIC LASERS, FUSES, WELDING WALKER FRANKLIN E 1981-12-08 US claimed
EP-0030429-A2 Fuels and a method of running an engine using such fuels AECI LIMITED (ZA) 1981-06-17 EP claimed
US-4243442-A Pre-solution preparation of double base propellant binder THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1981-01-06 US claimed
US-4239561-A NITRATE ESTERS AND CUPRIC RESORCYLATE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1980-12-16 US claimed
US-4092188-A PLASTICIZED BINDER CONTAINING MONOPROPELLANT TO SMOOTH OUT BURNING RATE CURVE LOVELACE ALAN M ACTING ADMINIS 1978-05-30 US claimed
US-4051207-A PROCESS FOR THE PRODUCTION OF PROPELLANT CHARGE POWDERS, ESPECIALLY NITROGUANIDINE POWDERS DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1977-09-27 US claimed
US-4002514-A DOUBLE BASE; NITRAMINE OXIDIZER; TRIAMINOGUANIDINIUM-AZIDE OR -HYDRAZINIUM DIAZIDE THE DOW CHEMICAL COMPANY (US) 1977-01-11 US claimed
US-3977922-A NITRO COMPOUNDS IN THERMOSETTING RESINS NIPPON OILS AND FATS COMPANY LIMITED (JA) 1976-08-31 US claimed

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-12590249-B2 Etchant composition ASIC1, NOS1, CA1 ALDH1A1 2289/4885CA12 79/4885CA1 3/4885
US-20260110607-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES WITH MINIMIZED FALSE POSITIVES TES, TNPO1, SLC2A1 ALDH1A1 4406/4885CA12 2711/4885CA1 976/4885
US-20260115188-A1 METHODS OF TREATING CENTERAL NERVOUS SYSTEM DISORDERS COMPRISING ADMINISTERING DEUTERATED LUMATEPERONE AND A NITRIC OXIDE DONOR HTR2C, DRD2, HTR2A ALDH1A1 669/4885CA12 3720/4885CA1 3490/4885
US-12478623-B2 Methods of treating central nervous system disorders comprising administering lumateperone and a nitric oxide donor HTR2A, HTR2C, HTR5A ALDH1A1 436/4885CA12 3975/4885CA1 2984/4885

“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.