SCHEMBL326036

SCHEMBL326036

CCCCO[N+](=O)OCCCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ATM Q13315 1/20 0.37
TSHR P16473 5/20 0.36
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
CA9 Q16790 1/20 0.32
THRB P10828 1/20 0.32

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
Ammonia Solution, Strong SCHEMBL5550497 0.97 CYP3A4 (0.40) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
Phosphine SCHEMBL3822065 0.97 CYP3A4 (0.46) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
Water SCHEMBL11127184 0.97 CYP3A4 (0.40) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL324579 0.92 CA1 (0.41) ALDH1A1CA1CA2TSHRHPGD
SCHEMBL3639078 0.90 TSHR (0.46) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL9542977 0.89 CA1 (0.43) ALDH1A1CA1CA2TSHRHPGD
SCHEMBL326032 0.89 CA1 (0.43) ALDH1A1CA1CA2TSHRHPGD
SCHEMBL273331 0.89 CA1 (0.43) ALDH1A1CA1CA2TSHRHPGD
SCHEMBL324701 0.89 CA1 (0.43) ALDH1A1CA1CA2TSHRHPGD
SCHEMBL11232265 0.89 CA1 (0.43) ALDH1A1CA1CA2TSHRHPGD

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 1122 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590249-B2 Etchant composition SAMSUNG ELECTRONICS CO., LTD. (KR) 2026-03-31 US claimed
CN-114678591-B Lithium-sulfur battery electrolyte, lithium-sulfur battery and activation method thereof 清华大学 2025-05-30 CN claimed
CN-119931727-A Fuel composition and application thereof 中国石油化工股份有限公司 2025-05-06 CN claimed
CN-117756186-B Preparation method of shape-controllable doped carbon-coated molybdate-based ferric oxide flower-shaped composite material 齐齐哈尔大学 2025-04-04 CN claimed
CN-119613980-A High-temperature high-pressure filtrate reducer sulfonated asphalt for drilling fluid and preparation method thereof 河南省新乡市第七化工有限公司 2025-03-14 CN claimed
CN-115810798-A Electrolyte solution, secondary battery, battery module, battery pack, and electric device 宁德时代新能源科技股份有限公司 2023-03-17 CN claimed
CN-115093301-B Fluorine-containing adhesive system poured metallized explosive and preparation method thereof 北京理工大学 2023-02-10 CN claimed
CN-115558532-A Environment-friendly fuel for engine 姚焱 2023-01-03 CN claimed
US-20220406428-A1 METHODS FOR TREATING ERECTILE DYSFUNCTION WITH A CGMP-SPECIFIC PHOSPHODIESTERASE 5 INHIBITOR PHARMACEUTICAL COMPOSITION ASTRAZENECA UK LIMITED (GB) 2022-12-22 US claimed
CN-115093301-A Fluorine-containing adhesive system poured metallized explosive and preparation method thereof 北京理工大学 2022-09-23 CN claimed
EP-0740528-A4 GAS MICROSPHERES FOR TOPICAL AND SUBCUTANEOUS APPLICATION IMARX PHARMACEUTICAL CORP (US) 1998-04-01 EP claimed
US-5733572-A Gas and gaseous precursor filled microspheres as topical and subcutaneous delivery vehicles IMARX PHARMACEUTICAL CORP. (US) 1998-03-31 US claimed
EP-0802788-A1 NOVEL THERAPEUTIC DELIVERY SYSTEMS UNGER, Evan C (US) 1997-10-29 EP claimed
EP-0740528-A1 GAS MICROSPHERES FOR TOPICAL AND SUBCUTANEOUS APPLICATION IMARX PHARMACEUTICAL CORP. (US) 1996-11-06 EP claimed
EP-0712293-A1 METHODS OF PREPARING GAS AND GASEOUS PRECURSOR-FILLED MICROSPHERES UNGER, Evan C (US) 1996-05-22 EP claimed
US-5482518-A FUEL ADDITIVES EXXON RESEARCH AND ENGINEERING COMPANY (US) 1996-01-09 US claimed
WO-1995015118-A1 GAS MICROSPHERES FOR TOPICAL AND SUBCUTANEOUS APPLICATION IMARX PHARMACEUTICAL CORP. (US) 1995-06-08 WO claimed
WO-1994028780-A2 METHODS OF PREPARING GAS AND GASEOUS PRECURSOR-FILLED MICROSPHERES UNGER EVAN C (US) 1994-12-22 WO claimed
WO-1994028874-A1 NOVEL THERAPEUTIC DELIVERY SYSTEMS UNGER EVAN C (US) 1994-12-22 WO claimed
US-4365973-A Middle distillate fuel additive UNION OIL COMPANY OF CALIFORNIA (US) 1982-12-28 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 (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-20220406428-A1 METHODS FOR TREATING ERECTILE DYSFUNCTION WITH A CGMP-SPECIFIC PHOSPHODIESTERASE 5 INHIBITOR PHARMACEUTICAL COMPOSITION PDE5A, PDE3A, PDE3B CYP3A4 813/4885ADRB2 124/4885ADRB1 88/4885
US-12590249-B2 Etchant composition ASIC1, NOS1, CA1 CYP3A4 4006/4885ADRB2 3729/4885ADRB1 4090/4885

“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.