SCHEMBL1754085

SCHEMBL1754085

CC(C)(C)CCOc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.58
TAAR1 Q96RJ0 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RECQL P46063 1/20 0.52
HTR1B P28222 2/20 0.52
HTR1D P28221 1/20 0.52
LTA4H P09960 3/20 0.50
PPARA Q07869 1/20 0.50
CHRNB2 P17787 2/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CHRNA7 P36544 2/20 0.48
CHRNA4 P43681 2/20 0.48
PKM P14618 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47

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
SCHEMBL10202896 0.89 KCNA3 (0.62) KCNA3TAAR1ALDH1A1RECQLHTR1B
SCHEMBL14524692 0.88 SMN1; SMN2 (0.47) KCNA3ALDH1A1LTA4HPPARAHDAC6
SCHEMBL6562705 0.88 LSS (0.56) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL13301359 0.88 LSS (0.56) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL22147343 0.87 KCNA3 (0.67) KCNA3TAAR1ALDH1A1RECQLHTR1B
SCHEMBL5099859 0.84 MAPK1 (0.46) CHRNB2CHRNA4
SCHEMBL12958141 0.83 KDM4E (0.52) ALDH1A1HTR1BHTR1DLTA4HPPARA
SCHEMBL12958258 0.83 LTA4H (0.53) LTA4HHDAC1HDAC2
SCHEMBL2601695 0.83 PPARA (0.42) KCNA3TAAR1ALDH1A1RECQLHTR1B
SCHEMBL21414831 0.83 KCNA3 (0.54) KCNA3TAAR1ALDH1A1RECQLHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116670108-A Ether compounds as volatiles for treating amino acid based substrates such as skin and hair 迈图高新材料有限责任公司 2023-08-29 CN claimed
CN-116670108-A Ether compounds as volatiles for treating amino acid based substrates such as skin and hair 迈图高新材料有限责任公司 2023-08-29 CN disclosed
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 US disclosed
CN-114981243-A 6-membered heteroarylaminosulfonamides for treating diseases and conditions mediated by deficiency of CFTR activity 健赞公司 2022-08-30 CN disclosed
US-11332440-B2 4-oxo-alkylated tetramic acid compound, and preparation method thereof BEIJING JOEKAI BIOTECH. LLC (CN) 2022-05-17 US disclosed
US-20220018826-A1 COLORIMETRIC PLASMONIC NANOSENSOR FOR DOSIMETRY OF THERAPEUTIC LEVELS OF IONIZING RADIATION ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2022-01-20 US disclosed
US-11130733-B2 4-OXO-alkylated tetramic acid compound, preparation method and use thereof BEIJING JOEKAI BIOTECH. LLC (CN) 2021-09-28 US disclosed
US-20210186970-A1 SELECTIVE CALCIUM CHANNEL ANTAGONISTS NORTHWESTERN UNIVERSITY 2021-06-24 US disclosed
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-20200361868-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND, PREPARATION METHOD AND USE THEREOF BEIJING JOEKAI BIOTECH. LLC (CN) 2020-11-19 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-20070179150-A1 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2007-08-02 US disclosed
US-7211590-B2 Nitrosated proton pump inhibitors, compositions and methods of use NITROMED, INC. (US) 2007-05-01 US disclosed
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-15 US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 US disclosed
US-7163958-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED INC. (US) 2007-01-16 US disclosed
US-20070010571-A1 Nitrosated and nitrosylated cardiovascular compounds, compositions and methods of use NITROMED, INC. (US) 2007-01-11 US disclosed
EP-1727824-A1 PROCESS FOR THE PREPARATION OF CLARITHROMYCIN Sandoz AG (CH) 2006-12-06 EP disclosed
WO-2005090377-A1 PROCESS FOR THE PREPARATION OF CLARITHROMYCIN SANDOZ AG (CH) 2005-09-29 WO 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 (11 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-11130733-B2 4-OXO-alkylated tetramic acid compound, preparation method and use thereof HTT, PARK7, PSEN1 KCNA3 928/4885TAAR1 105/4885ALDH1A1 1056/4885
US-11332440-B2 4-oxo-alkylated tetramic acid compound, and preparation method thereof PSEN1, PSEN2, APP KCNA3 1253/4885TAAR1 172/4885ALDH1A1 747/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 KCNA3 1579/4885TAAR1 42/4885ALDH1A1 1216/4885
US-20070032484-A1 Cathepsin K inhibitors CTSK, CTSS, CTSF KCNA3 1057/4885TAAR1 2307/4885ALDH1A1 1616/4885
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 KCNA3 521/4885TAAR1 1200/4885ALDH1A1 2826/4885
US-20070179150-A1 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NOS1, PTGS1, NOS2 KCNA3 3463/4885TAAR1 3035/4885ALDH1A1 1299/4885
US-20070010571-A1 Nitrosated and nitrosylated cardiovascular compounds, compositions and methods of use REN, ACE, AGTR1 KCNA3 2515/4885TAAR1 452/4885ALDH1A1 312/4885
US-20200361868-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND, PREPARATION METHOD AND USE THEREOF HTT, PARK7, PSEN1 KCNA3 928/4885TAAR1 105/4885ALDH1A1 1056/4885
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 KCNA3 3581/4885TAAR1 4045/4885ALDH1A1 807/4885
US-20210186970-A1 SELECTIVE CALCIUM CHANNEL ANTAGONISTS CACNA1C, CACNA1B, CACNA1G KCNA3 66/4885TAAR1 1963/4885ALDH1A1 3916/4885
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use GLS, NOS2, NOS1 KCNA3 3965/4885TAAR1 1918/4885ALDH1A1 883/4885

“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.