SCHEMBL974959

SCHEMBL974959

COC(=O)CCC[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
BLM P54132 1/20 0.43
HBB P68871 1/20 0.43
HIF1A Q16665 1/20 0.43
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3048368 0.94 TSHR (0.56) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL3503182 0.92 TSHR (0.54) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL11835881 0.92 TSHR (0.54) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL11830417 0.92 TSHR (0.54) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL11823526 0.92 TSHR (0.54) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL11830603 0.92 TSHR (0.54) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL11826116 0.92 TSHR (0.54) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL11830731 0.92 TSHR (0.54) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL11830919 0.92 TSHR (0.54) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL11824923 0.92 TSHR (0.54) TSHRALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119912333-A Synthesis method of methyl 4-aldehyde butyrate 安徽乐雍生物科技有限公司 2025-05-02 CN claimed
US-10364300-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2019-07-30 US claimed
CN-107567464-A For the method for the polydiene and polydiene copolymer that produce cold flow properties reduction 株式会社普利司通 2018-01-09 CN claimed
US-20170247478-A1 Method For Producing Polydienes And Polydiene Copolymers With Reduced Cold Flow BRIDGESTONE CORPORATION (JP) 2017-08-31 US claimed
EP-3204429-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW Bridgestone Corporation (JP) 2017-08-16 EP claimed
CN-103232356-B Technology for preparing 3-phenyl-4-aminobutyric acid hydrochloride 天津金族科技有限公司 2017-02-15 CN claimed
WO-2016057388-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2016-04-14 WO claimed
CN-104311424-A Optically pure beta-nitroalcohol derivatives and synthesis method thereof JINGCHU UNIVERSITY OF TECHNOLOGY 2015-01-28 CN claimed
CN-104292062-A Method for catalyzing and synthesizing optically pure beta-nitramine derivative JINGCHU UNIVERSITY OF TECHNOLOGY 2015-01-21 CN claimed
US-20260109684-A1 QUINOLINE COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF NEW YORK UNIVERSITY (US) 2026-04-23 US disclosed
EP-4662205-A1 DERIVATIVES, IMMUNOGENS, AND ANTIBODIES AND USE OF THE SAME IN DETECTION OF ECSTASY-CLASS COMPOUNDS Siemens Healthcare Diagnostics, Inc. (US) 2025-12-17 EP disclosed
WO-2025245351-A1 SUBSTITUTED ARYL SULFONAMIDES AND COMPOSITIONS AND USES THEREOF XENON PHARMACEUTICALS INC. (CA) 2025-11-27 WO disclosed
EP-4131548-B1 NON-AQUEOUS ELECTROLYTE FOR BATTERY, PRECURSOR FOR LITHIUM SECONDARY BATTERY, METHOD FOR MANUFACTURING LITHIUM SECONDARY BATTERY, LITHIUM SECONDARY BATTERY, PHOSPHAZENE COMPOUND, AND ADDITIVE FOR BATTERY MITSUI CHEMICALS INC (JP) 2025-08-27 EP disclosed
EP-4594303-A1 QUINOLINE COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF New York University (US) 2025-08-06 EP disclosed
WO-1993021181-A1 AZACYCLIC COMPOUNDS MERCK SHARP & DOHME LIMITED (GB) 1993-10-28 WO disclosed
WO-1993004040-A1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME LIMITED (GB) 1993-03-04 WO disclosed
EP-0528495-A1 Azacyclic compounds, processes for their preparation and pharmaceutical compositions containing them MERCK SHARP & DOHME LTD. (GB) 1993-02-24 EP disclosed
WO-1993000331-A1 FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES PFIZER INC. (US) 1993-01-07 WO disclosed
US-4677114-A REDUCING AMNESIA, TREATMENT OF SENILITY WARNER-LAMBERT COMPANY (US) 1987-06-30 US disclosed
US-4677098-A REDUCING AMNESIA AND TREATING SENILITY WARNER-LAMBERT COMPANY (US) 1987-06-30 US 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-20260109684-A1 QUINOLINE COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF AGER, GLP1R, HMGB1 TSHR 2243/4885ALDH1A1 1294/4885LMNA 649/4885

“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.