SCHEMBL97181

SCHEMBL97181

CCCCCN(C=O)CCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 3/20 0.48
ADH1A P07327 3/20 0.48
ADH4 P08319 2/20 0.48
DNM1 Q05193 3/20 0.43
TSHR P16473 5/20 0.42
ADH1B P00325 2/20 0.39
ADH7 P40394 2/20 0.39
EPHX1 P07099 1/20 0.39
FAAH O00519 2/20 0.37
TRPV1 Q8NER1 2/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL3954905 0.97 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR
SCHEMBL5175186 0.97 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR
SCHEMBL5479572 0.97 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR
SCHEMBL276871 0.97 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR
SCHEMBL3962903 0.97 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR
SCHEMBL271668 0.97 ADH1C (0.47) ADH1CADH1AADH4DNM1TSHR
SCHEMBL277587 0.97 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR
SCHEMBL55195 0.97 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR
SCHEMBL95389 0.97 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR
SCHEMBL276848 0.97 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR

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 1815 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344292-A Acenaphthene derivative and preparation method thereof, acenaphthene derivative material and preparation method and application thereof 中国石油化工股份有限公司 2024-07-16 CN claimed
CN-115304462-B Method for producing glycolaldehyde 中国石油大学(华东) 2023-12-08 CN claimed
CN-114242953-B Metallic lithium anode and preparation method and application thereof 北京理工大学重庆创新中心 2023-07-21 CN claimed
CN-112010273-B Carbon nitride material with terminal group carbonylation and preparation method thereof 中国科学院大连化学物理研究所 2022-09-20 CN claimed
CN-109111352-B Method for producing glycolaldehyde 中国石油大学(华东) 2022-07-05 CN claimed
CN-109641827-B Method for the catalytic production of formic acid at low overpressure and for the regeneration of the catalyst used in the process OXFA有限公司 2022-03-29 CN claimed
CN-114242953-A Metallic lithium cathode and preparation method and application thereof 北京理工大学重庆创新中心 2022-03-25 CN claimed
US-20210171515-A1 CYTOCHROME P450 INHIBITORS AND USES THEREOF ANGION BIOMEDICA CORP. 2021-06-10 US claimed
CN-112010273-A Carbon nitride material with terminal group carbonylation and preparation method thereof 中国科学院大连化学物理研究所 2020-12-01 CN claimed
EP-3484847-B1 METHOD FOR SEPARATING FORMIC ACID FROM A REACTION MIXTURE BY MEANS OF EXTRACTION OXFA GMBH (DE) 2020-10-28 EP claimed
WO-2005012326-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT TRANSPORTER TANABE SEIYAKU CO., LTD. (JP) 2005-02-10 WO claimed
WO-2005007631-A1 NAPHTHYLENE DERIVATIVES AS CYTOCHROME P450 INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed
JP-2002501515-A 2002-01-15 JP claimed
US-6313344-B1 PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-11-06 US claimed
EP-0984923-A1 O-BENZYL OXIME ETHERS AND THEIR USE AS PESTICIDES Novartis AG (CH) 2000-03-15 EP claimed
EP-0527049-B1 Quinophthalone compound MITSUI CHEMICALS INC (JP) 1998-12-23 EP claimed
WO-1998054125-A1 O-BENZYL OXIME ETHERS AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 1998-12-03 WO claimed
EP-0416810-B1 Cephalosporin compounds, process for their preparation, pharmaceutical compositions and intermediates BEECHAM GROUP PLC (GB) 1995-02-08 EP claimed
EP-0416810-A2 Cephalosporin compounds, process for their preparation, pharmaceutical compositions and intermediates Beecham Group p.l.c. (GB) 1991-03-13 EP claimed
US-4551208-A FROM AMIDE SOLVENTS BASF AKTIENGESELLSCHAFT (DE) 1985-11-05 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-20210171515-A1 CYTOCHROME P450 INHIBITORS AND USES THEREOF CYP7A1, CYP2E1, CYP11B1 ADH1C 328/4885ADH1A 172/4885ADH4 292/4885

“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.