SCHEMBL61880

SCHEMBL61880

CCCCCCCCCCC#N

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.77
THRB P10828 1/20 0.50
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
DNM1 Q05193 4/20 0.41
PTPN7 P35236 3/20 0.39
HMGCR P04035 1/20 0.39
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
Palmitonitrile SCHEMBL17183997 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL2154283 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL181303 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL11095447 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
Octane SCHEMBL6002112 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL181158 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL60342 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
Heptane SCHEMBL3240570 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL345850 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
Octane SCHEMBL20497305 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118763283-B Pyridyl additive, nitrile electrolyte containing pyridyl additive and lithium metal secondary battery 哈尔滨工业大学 2025-06-24 CN claimed
CN-111051483-B Esters and ethers of 2, 4-tetramethyl cyclobutane-1, 3-diol as fragrance chemicals 巴斯夫欧洲公司 2025-01-24 CN claimed
CN-118763283-A Pyridyl additive, nitrile electrolyte containing pyridyl additive and lithium metal secondary battery 哈尔滨工业大学 2024-10-11 CN claimed
CN-116408203-A Method for separating feldspar from photovoltaic glass quartz sand by lepidolite tailings 合肥万泉非金属矿科技有限公司 2023-07-11 CN claimed
CN-110643032-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2022-01-28 CN claimed
CN-113526526-A Preparation method of deuterated ammonia and deuterated reaction taking deuterated ammonia as deuterium source to participate 苏州大学 2021-10-22 CN claimed
CN-112812038-A Refining process of industrial acetonitrile-containing wastewater 西安瑞联新材料股份有限公司 2021-05-18 CN claimed
CN-110643032-A Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2020-01-03 CN claimed
CN-106967213-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2019-11-05 CN claimed
WO-2018145219-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING SERANI MOSTAZAL JORGE (CL) 2018-08-16 WO claimed
WO-2014144711-A1 ANALYSIS OF MRNA HETEROGENEITY AND STABILITY MODERNA THERAPEUTICS, INC. (US) 2014-09-18 WO claimed
EP-2695176-A1 CARBON ELECTRODES AND ELECTROCHEMICAL CAPACITORS Retriev Technologies Incorporated (US) 2014-02-12 EP claimed
WO-2012138315-A1 CARBON ELECTRODES AND ELECTROCHEMICAL CAPACITORS Lithdyne, LLC (US) 2012-10-11 WO claimed
US-7924549-B1 Carbon electrodes and electrochemical capacitors Lithdyne, LLC 2011-04-12 US claimed
EP-1670840-B1 PROCESS FOR MAKING AMIDE ACETALS DU PONT (US) 2008-09-03 EP claimed
EP-1670840-A1 PROCESS FOR MAKING AMIDE ACETALS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-06-21 EP claimed
US-20050222425-A1 Process for making amide acetals AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2005-10-06 US claimed
WO-2005035613-A1 PROCESS FOR MAKING AMIDE ACETALS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-04-21 WO claimed
EP-0267976-A1 An improved process for the preparation of bicyclic amide acetals Ashland Oil, Inc. (US) 1988-05-25 EP claimed
US-4652655-A Bicyclic amide acetals are prepared from organic nitriles and dialkanol amines at below about 140° C. and product is isolated by solvent extraction ASHLAND OIL, INC. (US) 1987-03-24 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 (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-20050222425-A1 Process for making amide acetals NAAA, APEH, AMDHD2 TSHR 4463/4885THRB 4360/4885ALDH1A1 213/4885

“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.