SCHEMBL5529997

SCHEMBL5529997

CCCC(CC=O)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.38
ADRA1A P35348 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
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
SCHEMBL28996866 0.85 GPR84 (0.55) GPR84TDP1ALDH1A1TSHRSLC22A6
SCHEMBL29144599 0.85 CACNA2D1 (0.39) GPR84ADRA1ATDP1CACNA2D1CACNB3
SCHEMBL27678641 0.82 SLC22A6 (0.41) ADRA1ATDP1CACNA2D1CACNB3CACNA1C
SCHEMBL1335604 0.82 ADRA1A (0.48) GPR84ADRA1AHDAC1HDAC2TDP1
SCHEMBL967149 0.82 ADRA1A (0.48) GPR84ADRA1AHDAC1HDAC2TDP1
SCHEMBL7933234 0.82 GPR84 (0.37) GPR84ADRA1AHDAC1HDAC2TDP1
SCHEMBL8002550 0.82 CHRM1 (0.32) ADRA1AHDAC1HDAC2TDP1CHRM1
SCHEMBL11546916 0.81 GSTK1 (0.36) GPR84ADRA1ATDP1CACNA2D1CACNB3
SCHEMBL11294180 0.80 ADRA1A (0.46) GPR84ADRA1AHDAC1HDAC2TDP1
SCHEMBL3844336 0.79 ALDH1A1 (0.38) ADRA1AHDAC1HDAC2TDP1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100395234-C Novel CB1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2008-06-18 CN disclosed
CN-101012193-A Novel CB 1 receptour inverse agonists HOFFMANN LA ROCHE (CH) 2007-08-08 CN disclosed
US-20070010477-A1 Acyl homoserine lactones for inhibition of cell growth NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-01-11 US disclosed
WO-2006110531-A2 ACYL HOMOSERINE LACTONES FOR INHIBITION OF CELL GROWTH HEALTH RESEARCH INC. (US) 2006-10-19 WO disclosed
CN-1735593-A Novel CB1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2006-02-15 CN disclosed
CN-1321152-A Substituted oxazole and thiazole derivatives as hPPAR gamma and hPPAR alpha activators GLAXO GROUP LTD (GB) 2001-11-07 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 (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-20070010477-A1 Acyl homoserine lactones for inhibition of cell growth AHCYL1, HCCS, ACSL1 GPR84 2325/4885ADRA1A 4212/4885HDAC1 1455/4885

“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.