SCHEMBL5012808

SCHEMBL5012808

CCCOC(=O)OC(C)CCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.39
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 4/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
CHRM1 P11229 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL4921566 0.88 FAAH (0.47) FAAHALDH1A1CNR1CNR2TDP1
SCHEMBL7250555 0.86 FAAH (0.36) FAAHHCAR2ALDH1A1CNR1CNR2
SCHEMBL2984925 0.85 HCAR2 (0.36) FAAHHCAR2ALDH1A1CHRM1TDP1
SCHEMBL5511961 0.85 ALDH1A1 (0.50) FAAHALDH1A1CNR1CNR2HDAC1
SCHEMBL4439901 0.85 HCAR2 (0.36) FAAHHCAR2ALDH1A1CHRM1TDP1
SCHEMBL2982786 0.85 HCAR2 (0.36) FAAHHCAR2ALDH1A1CHRM1TDP1
SCHEMBL18856280 0.85 FAAH (0.57) FAAHALDH1A1CNR1CNR2LMNA
SCHEMBL18388468 0.85 FAAH (0.49) FAAHHCAR2ALDH1A1CNR1CNR2
SCHEMBL33485 0.84 FAAH (0.40) FAAHALDH1A1CNR1CNR2HDAC1
SCHEMBL6896626 0.82 TSHR (0.39) FAAHALDH1A1CNR1CNR2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445502-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES PHARMA IRELAND LTD (IE) 2017-06-21 EP disclosed
US-8324273-B2 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. (US) 2012-12-04 US disclosed
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. 2008-07-17 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 (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-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use COMT, PARK7, DDT FAAH 412/4885HCAR2 856/4885ALDH1A1 636/4885

“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.