SCHEMBL606730

SCHEMBL606730

CCCCN(CCCC)N=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA9 Q16790 4/20 0.42
CA2 P00918 2/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DNM1 Q05193 3/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ALDH2 P05091 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
SCHEMBL10792995 0.95 TSHR (0.46) TSHRCA12CA1CA9CA2
SCHEMBL23477341 0.95 TSHR (0.46) TSHRCA12CA1CA9CA2
SCHEMBL896509 0.92 TSHR (0.48) TSHRCA12CA1CA9CA2
SCHEMBL3341604 0.89
SCHEMBL10793051 0.89 DNM1 (0.48) TSHRCA12CA1CA9CA2
SCHEMBL11416179 0.89 DNM1 (0.48) TSHRCA12CA1CA9CA2
SCHEMBL11554162 0.89 DNM1 (0.48) TSHRCA12CA1CA9CA2
SCHEMBL4732004 0.88 CA12 (0.40) TSHRCA12CA1CA9CA2
SCHEMBL15630544 0.88 ALDH1A1 (0.43) TSHRCA12CA1CA9CA2
SCHEMBL870314 0.86 SMN1; SMN2 (0.46) TSHRCA12CA1CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260027008-A1 MATERIALS AND METHODS FOR MITIGATING THE PRESENCE OF NITROSAMINES IN PACKAGING USING ACTIVATED CARBON OR A DERIVATIVE THEREOF CSP TECHNOLOGIES, INC. 2026-01-29 US claimed
US-20260014284-A1 PROCESS FOR PREPARATION OF RADIOLABELED STYRYLPYRIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF JUBILANT DRAXIMAGE INC (CA) 2026-01-15 US claimed
EP-4037679-B1 A PROCESS FOR THE PREPARATION OF HIGHLY PURE VALSARTAN HARMAN FINOCHEM LTD (IN) 2025-08-06 EP claimed
US-12365654-B2 Process for the preparation of highly pure valsartan HARMAN FINOCHEM LIMITED (IN) 2025-07-22 US claimed
US-20250166651-A1 METHOD FOR CONSTRUCTING TRANSVERSE AUDIBLE NOISE MODEL FOR AN ELECTRIC TRANSMISSION CORRIDOR, MICROPHONE SUPPORT APPARATUS, AND AUDIBLE NOISE MEASUREMENT DEVICE GLOBAL ENERGY INTERCONNECTION RESEARCH INSTITUTE CO., LTD. (CN) 2025-05-22 US claimed
CN-119936256-A Method for simultaneously detecting 9 nitrosamines in medicinal infusion bag 重庆市计量质量检测研究院 2025-05-06 CN claimed
CN-119269672-A Extraction, separation and detection method for N-nitrosamine 华南理工大学 2025-01-07 CN claimed
CN-119246753-A Universal analysis and detection method for 7 nitrosamines in medicine 上海合全药物研发有限公司 2025-01-03 CN claimed
CN-119224148-A Detection method for determining nitrosamine compounds in cold medicine based on gas chromatography-tandem mass spectrometry 绍兴市疾病预防控制中心 2024-12-31 CN claimed
EP-4470565-A1 METHOD FOR PREVENTING OR TREATING DISEASE OR DISORDER ASSOCIATED WITH ANTINEOPLASTIC AGENT OnQuality Pharmaceuticals China Ltd. (CN) 2024-12-04 EP claimed
CN-104568562-A Water sample and pretreatment method of nitrosoamine compound in suspended matter of water sample UNIV CHINA GEOSCIENCES WUHAN 2015-04-29 CN claimed
CN-104076106-A Method suitable for simultaneously detecting 9 N-nitrosamines in food contact rubber products INSPECTION AND QUARANTINE TECHNOLOGY CT ZHEJIANG ENTRY EXIT INSPECTION AND QUARANTINE BUREAU 2014-10-01 CN claimed
US-20090324787-A2 DEODORIZED PLANT COLORANT DERIVED FROM IPOMOEA BATATAS (as amended) SAN-EI GEN F.F.I., INC. (JP) 2009-12-31 US claimed
US-20090238932-A1 Deodorized plant colorant derived from Ipomoea Batatas SAN-EI GEN F.F.I., INC. (JP) 2009-09-24 US claimed
EP-2096146-A1 Deodorized plant pigment derived from Ipomoea Batatas SAN-EI GEN F.F.I., INC. (JP) 2009-09-02 EP claimed
US-4535154-A ONE-STEP USING POTASSIUM HYDROXIDE AND A NICKEL-ALUMINUM CATALYST UNITED STATES OF AMERICA (US) 1985-08-13 US claimed
US-4197226-A Water-soluble coating composition NIPPON OIL CO., LTD. (JP) 1980-04-08 US claimed
US-4171308-A ADDUCT OF A BUTADIENE POLYMER AND AN A,B-UNSATURATED CARBOXY ACID COMPOUND, NEUTRALIZED NIPPON OIL CO. LTD. (JP) 1979-10-16 US claimed
US-4053317-A N-NITROSO COMPOUND, PHOTOPOLYMERIZABLE COMPOUND TEIJIN LIMITED (JA) 1977-10-11 US claimed
US-3952023-A Method for preparing adduct of butadiene polymer or copolymer and α, β-ethylenically unsaturated dicarboxylic acid compound NIPPON OIL COMPANY LTD. (JA) 1976-04-20 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 (3 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-12365654-B2 Process for the preparation of highly pure valsartan REN, AGT, ACE TSHR 3820/4885CA12 3912/4885CA1 3646/4885
US-20260014284-A1 PROCESS FOR PREPARATION OF RADIOLABELED STYRYLPYRIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF NEFM, APP, PSEN2 TSHR 415/4885CA12 2581/4885CA1 2260/4885
US-20260027008-A1 MATERIALS AND METHODS FOR MITIGATING THE PRESENCE OF NITROSAMINES IN PACKAGING USING ACTIVATED CARBON OR A DERIVATIVE THEREOF NOS2, NOS1, NOS3 TSHR 4461/4885CA12 3108/4885CA1 3461/4885

“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.