SCHEMBL4634622

SCHEMBL4634622

O=C(CNC1CCCC1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
EPHX1 P07099 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.49
EPHX2 P34913 1/20 0.49
SGMS2 Q8NHU3 1/20 0.48
TSHR P16473 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL22416691 0.98 ALDH1A1 (0.60) ALDH1A1EPHX1TAAR1KMT2AMEN1
SCHEMBL1414262 0.98 ALDH1A1 (0.60) ALDH1A1EPHX1TAAR1KMT2AMEN1
Hydrochloric Acid SCHEMBL1414261 0.97 ALDH1A1 (0.59) ALDH1A1EPHX1TAAR1KMT2AMEN1
Cyclohexylamine SCHEMBL6680844 0.92 ALDH1A1 (0.54) ALDH1A1EPHX1TAAR1KMT2AMEN1
SCHEMBL4982451 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL15521641 0.85 KEAP1 (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL4279441 0.85 LMNA (0.52) ALDH1A1EPHX1KMT2AMEN1KDM4E
SCHEMBL5739846 0.84 ACHE (0.58) KMT2AMEN1L3MBTL1
SCHEMBL7301279 0.84 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1GAATSHR
SCHEMBL18154137 0.84 ALDH1A1 (0.50) ALDH1A1EPHX1KMT2AMEN1MAPK1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850285-B Endoperoxide compound or pharmaceutically acceptable salt thereof, pharmaceutical preparation and application 贵州大学 2024-08-30 CN disclosed
CN-114456180-B Compounds and pharmaceutical formulations for the treatment and/or prophylaxis of malignant tumors and use thereof 贵州大学 2023-07-25 CN disclosed
CN-115850285-A Endoperoxide compound or pharmaceutically acceptable salt thereof, pharmaceutical preparation and application 贵州大学 2023-03-28 CN disclosed
US-10723739-B2 Processes for the preparation of Ribociclib and intermediates thereof APOTEX INC. (CA) 2020-07-28 US disclosed
US-10723739-B2 Processes for the preparation of Ribociclib and intermediates thereof APOTEX INC. (CA) 2020-07-28 US disclosed
US-20190345163-A1 Processes for the Preparation of Ribociclib and Intermediates Thereof THE BANK OF NOVA SCOTIA (CA) 2019-11-14 US disclosed
US-20190345163-A1 Processes for the Preparation of Ribociclib and Intermediates Thereof THE BANK OF NOVA SCOTIA (CA) 2019-11-14 US disclosed
EP-1928475-A2 ANTIVIRAL PHOSPHORAMIDATES OF 4'-SUBSTITUTED PRONUCLEOTIDES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-11 EP disclosed
CN-101098852-A Glycogen phosphorylase inhibitor compounds and pharmaceutical compositions thereof SMITHKLINE BEECHAM CORP (US) 2008-01-02 CN disclosed
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
WO-2007020193-A2 ANTIVIRAL PHOSPHORAMIDATES OF 4 ' -SUBSTITUTED PRONUCLEOTIDES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
EP-0813544-B1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH INC (US) 2004-10-27 EP disclosed
CN-1150206-C Bradykinin antagonist peptides containing N-substituted glycines 2004-05-19 CN disclosed
EP-0813544-A4 1998-01-07 EP disclosed
EP-0813544-A1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH, INC. (US) 1997-12-29 EP disclosed
US-5700779-A ALLEVIATING PAIN, ASTHMA, INFLAMMATION, CEREBRAL EDEMA, CARDIOVASCULAR DYSFUNCTION CORTECH, INC. (US) 1997-12-23 US disclosed
CN-1148393-A Bradykinin antagonist peptides incorporating N-substituted glycines CORTECH INC (US) 1997-04-23 CN disclosed
WO-1995024422-A1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH, INC. (US) 1995-09-14 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 (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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 ALDH1A1 2212/4885EPHX1 1557/4885TAAR1 4882/4885
US-10723739-B2 Processes for the preparation of Ribociclib and intermediates thereof RRM2B, RPIA, RTCB ALDH1A1 863/4885EPHX1 2964/4885TAAR1 4880/4885
US-20190345163-A1 Processes for the Preparation of Ribociclib and Intermediates Thereof RRM2B, RPIA, RTCB ALDH1A1 863/4885EPHX1 2964/4885TAAR1 4880/4885

“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.