SCHEMBL8277447

SCHEMBL8277447

CCC(C)(C)C(O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.38
ACLY P53396 1/20 0.38
TP53 P04637 1/20 0.36
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34
GPR84 Q9NQS5 3/20 0.33
FFAR1 O14842 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL14661898 1.00 CPT2 (0.38) CPT2ACLYTP53CHRM1AKR1A1
SCHEMBL14661666 1.00 CPT2 (0.38) CPT2ACLYTP53CHRM1AKR1A1
SCHEMBL1981419 0.81 CPT2 (0.39) CPT2ACLYTP53TDP1FFAR1
SCHEMBL4093237 0.80 HDAC1 (0.37) CPT2ACLYTP53CHRM1AKR1A1
SCHEMBL14661405 0.80 HDAC1 (0.37) CPT2ACLYTP53CHRM1AKR1A1
SCHEMBL14661634 0.80 HDAC1 (0.37) CPT2ACLYTP53CHRM1AKR1A1
SCHEMBL18611857 0.79 ALDH1A1 (0.32) TDP1ALDH1A1PTGS1TSHR
Pantoic Acid SCHEMBL213981 0.79 PTGS1 (0.48) CPT2ACLYTP53ALDH1A1MAPT
SCHEMBL8277201 0.79 CPT2 (0.38) CPT2ACLYTP53CHRM1AKR1A1
SCHEMBL1781697 0.79 ALDH1A1 (0.32) TDP1ALDH1A1PTGS1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111205397-B Ionic liquid grafted cellulose nanocrystal and preparation method thereof 青岛科技大学 2022-08-23 CN claimed
CN-111205397-A Ionic liquid grafted cellulose nanocrystal and preparation method thereof 青岛科技大学 2020-05-29 CN claimed
US-20240397944-A1 METHODS FOR BIOFILM DISRUPTION Lixa Limited (AU) 2024-12-05 US disclosed
CN-111205397-B Ionic liquid grafted cellulose nanocrystal and preparation method thereof 青岛科技大学 2022-08-23 CN disclosed
CN-111205397-A Ionic liquid grafted cellulose nanocrystal and preparation method thereof 青岛科技大学 2020-05-29 CN disclosed
US-20150038333-A1 PLANT PROTECTIVE COMPOSITION CONTAINING ALPHA-HYDROXY ACIDS HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENT -RUN FÜR GESUNDHEIT UND (DE) 2015-02-05 US disclosed
EP-2736331-A1 PLANT PROTECTIVE COMPOSITION CONTAINING ALPHA-HYDROXY ACIDS Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2014-06-04 EP disclosed
WO-2013014245-A1 PLANT PROTECTIVE COMPOSITION CONTAINING ALPHA-HYDROXY ACIDS HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2013-01-31 WO disclosed
EP-1771453-B1 HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS BOEHRINGER INGELHEIM INT (DE) 2012-05-30 EP disclosed
US-7767818-B2 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-03 US disclosed
US-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 US disclosed
WO-2006007700-A1 HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 WO disclosed
CN-1261343-A Use of an acid of mean strength as izoomerisation catalyst of an epoxide with a carbonyl function in the epoxide alpha PHODIA CHIMIE (FR) 2000-07-26 CN 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-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs DPP3, CTSC, ANPEP CPT2 4414/4885ACLY 2988/4885TP53 903/4885
US-20240397944-A1 METHODS FOR BIOFILM DISRUPTION FGB, MMP8, HAO2 CPT2 2504/4885ACLY 1345/4885TP53 3475/4885
US-20150038333-A1 PLANT PROTECTIVE COMPOSITION CONTAINING ALPHA-HYDROXY ACIDS HAO1, HAAO, HAO2 CPT2 456/4885ACLY 1348/4885TP53 3892/4885

“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.