SCHEMBL5651631

SCHEMBL5651631

CCOC(=O)CCCNC=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
ADH1B P00325 3/20 0.48
ADH1A P07327 3/20 0.48
ADH7 P40394 3/20 0.48
ADH1C P00326 2/20 0.48
EPHX1 P07099 1/20 0.47
ADH4 P08319 1/20 0.47
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
NR1I2 O75469 1/20 0.46
PGR P06401 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
PTGS2 P35354 1/20 0.46
PDE4D Q08499 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL8176277 0.96 CYP1A2 (0.52) CYP1A2ADH1BADH1AADH7ADH1C
SCHEMBL5528695 0.94 ADH1B (0.50) CYP1A2ADH1BADH1AADH7ADH1C
SCHEMBL11788415 0.94 ADH1B (0.50) CYP1A2ADH1BADH1AADH7ADH1C
SCHEMBL1938229 0.88 GAA (0.50) CYP1A2ADH1BADH1AADH7ADH1C
SCHEMBL25030595 0.87 CYP1A2 (0.43) CYP1A2ADH1BADH1AADH7ADH1C
SCHEMBL8636181 0.84 CYP1A2 (0.59) CYP1A2GAAMGAMSIMGAM2
SCHEMBL16948556 0.82 CYP1A2 (0.53) CYP1A2GAAMGAMSIMGAM2
SCHEMBL5649769 0.82 TSHR (0.58) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL17814943 0.81 CYP1A2 (0.48) CYP1A2GAAMGAMSIMGAM2
SCHEMBL23876838 0.80 DGKA (0.43) ADH1BADH1AADH7ADH1CEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021224040-A1 CONDENSED ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES BASF SE (DE) 2021-11-11 WO disclosed
WO-2020032252-A1 THERAPEUTIC AGENT FOR HUMORAL IMMUNITY-RELATED DISEASES IN MATERNO-FETAL RELATIONSHIP 山口 晃史 2020-02-13 WO disclosed
CN-101193895-B Method for producing tricyclic ketone YAKULT HONSHA KK 2011-06-01 CN disclosed
EP-2149561-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-02-03 EP disclosed
CN-101193895-A Method for producing tricyclic ketone YAKULT HONSHA KK (JP) 2008-06-04 CN disclosed
WO-2007084498-A1 PIPERAZINE DERIVATIVES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2007-07-26 WO disclosed
US-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP disclosed
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed
US-6140338-A FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS BANYU PHARMACEUTICAL, CO., LTD. (JP) 2000-10-31 US disclosed
EP-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 EP disclosed
EP-0676961-A1 USE OF MACROLIDES FOR THE TREATMENT OF CEREBRAL ISCHEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-10-18 EP disclosed
US-4139390-A Presensitized printing plate having a print-out image EASTMAN KODAK COMPANY (US) 1979-02-13 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 (2 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-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 CYP1A2 1013/4885ADH1B 4462/4885ADH1A 2018/4885
US-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 CYP1A2 877/4885ADH1B 2746/4885ADH1A 2285/4885

“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.