SCHEMBL5605708

SCHEMBL5605708

CC1CCC(C(C)C)C(OC(=O)/C=C\C(=O)O)(c2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.39
CCR2 P41597 1/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SLC6A2 P23975 2/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 2/20 0.32
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5605712 0.96 CCR2 (0.36) HCAR2CCR2GAAALDH1A1SLC6A2
SCHEMBL28417608 0.71 CCR2 (0.40) CCR2SLC6A2SLC6A3
SCHEMBL12484267 0.69 NPSR1 (0.43) CCR2MAPK1LMNA
SCHEMBL5244036 0.69 NPSR1 (0.43) CCR2MAPK1LMNA
SCHEMBL337275 0.68 CCR2 (0.36) CCR2SLC6A2
SCHEMBL7799804 0.65 L3MBTL1 (0.42) CCR2LMNAL3MBTL1
SCHEMBL3264515 0.65 MAPT (0.30) HCAR2
SCHEMBL11437597 0.65 CCR2 (0.34) CCR2
SCHEMBL5605715 0.64 HCAR2 (0.39) HCAR2CCR2ALDH1A1
SCHEMBL11370920 0.64 OPRM1 (0.40) GAASLC6A2MAPK1LMNASLC6A4

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
US-7169950-B2 Method for producing monocarbonyl compounds or biscarbonyl compounds or hydroxyl compounds DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2007-01-30 US disclosed
US-20040073041-A1 Method for producing monocarbonyl compounds or biscarbonyl compounds or hydroxyl compounds DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2004-04-15 US disclosed
US-5939580-A Process for preparing glyoxylic esters and their hydrates DSM FINE CHEMICALS AUSTRIA GMBH (AT) 1999-08-17 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-20040073041-A1 Method for producing monocarbonyl compounds or biscarbonyl compounds or hydroxyl compounds OXER1, FHIT, HAO2 HCAR2 89/4885CCR2 2672/4885GAA 4522/4885

“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.