SCHEMBL2171779

SCHEMBL2171779

CC=CC(=O)OC(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.41
CA12 O43570 1/20 0.36
AKR1B10 O60218 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
AKR1B1 P15121 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
CTSK P43235 1/20 0.33
GSTP1 P09211 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL2171771 1.00 HCAR2 (0.41) HCAR2CA12AKR1B10CA1CA2
SCHEMBL11749041 0.87 HCAR2 (0.52) HCAR2CA12AKR1B10CA1CA2
SCHEMBL11748372 0.87 HCAR2 (0.52) HCAR2CA12AKR1B10CA1CA2
SCHEMBL15355366 0.87 HCAR2 (0.52) HCAR2CA12AKR1B10CA1CA2
SCHEMBL15855932 0.84 HCAR2 (0.34) HCAR2CA12AKR1B10CA1CA2
SCHEMBL15855933 0.84 HCAR2 (0.34) HCAR2CA12AKR1B10CA1CA2
SCHEMBL15855936 0.81 HCAR2 (0.41) HCAR2CA12AKR1B10CA1CA2
SCHEMBL15855935 0.81 HCAR2 (0.41) HCAR2CA12AKR1B10CA1CA2
SCHEMBL13282549 0.80
SCHEMBL690461 0.80

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
US-20030068295-A1 Odor neutralizers SYMRISE AG (DE) 2003-04-10 US claimed
EP-1239890-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2002-09-18 EP claimed
WO-2001043784-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2001-06-21 WO claimed
EP-3661567-A1 SCENT SWITCH DEVICE Symrise AG (DE) 2020-06-10 EP disclosed
US-20200171194-A1 SCENT SWITCH DEVICE SYMRISE AG (DE) 2020-06-04 US disclosed
WO-2019025007-A1 SCENT SWITCH DEVICE SYMRISE AG (DE) 2019-02-07 WO disclosed
EP-2346535-A1 MALODOR CONTROL SYSTEM The Procter & Gamble Company (US) 2011-07-27 EP disclosed
WO-2010053891-A1 MALODOR CONTROL SYSTEM THE PROCTER & GAMBLE COMPANY (US) 2010-05-14 WO disclosed
US-20100111889-A1 Malodor Control System PROCTER & GAMBLE COMPANY, THE 2010-05-06 US disclosed
US-7157411-B2 Odor neutralizers SYMRISE GMBH & CO. KG (DE) 2007-01-02 US disclosed
EP-1239890-B1 ODOR NEUTRALIZERS SYMRISE GMBH & CO KG (DE) 2004-11-10 EP disclosed
US-20030068295-A1 Odor neutralizers SYMRISE AG (DE) 2003-04-10 US disclosed
EP-1239890-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2002-09-18 EP disclosed
WO-2001043784-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2001-06-21 WO 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-20030068295-A1 Odor neutralizers OXER1, OR51E2, OR10J3 HCAR2 488/4885CA12 1769/4885AKR1B10 105/4885

“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.