SCHEMBL2170242

SCHEMBL2170242

CCCC(=O)OC1CC(C)(C)CCCC1C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.36
NAAA Q02083 2/20 0.36
CYP19A1 P11511 3/20 0.35
ABCB1 P08183 1/20 0.34
NLRP3 Q96P20 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 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
SCHEMBL2171740 0.88 CHRM2 (0.43) CYP19A1ABCB1CHRM2CHRM4CHRM1
SCHEMBL22122699 0.87 CYP19A1 (0.35) CYP19A1
SCHEMBL28655508 0.82 CHRM2 (0.36) CYP19A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL30987473 0.82 CHRM2 (0.36) CYP19A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL30987437 0.82 CHRM2 (0.36) CYP19A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL31602245 0.82 CHRM2 (0.36) CYP19A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL28208008 0.80 NAAA (0.49) NAAACYP19A1NLRP3ALDH1A1
SCHEMBL2172992 0.80 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3
SCHEMBL18334321 0.79 CYP19A1 (0.51) SLC18A3NAAACYP19A1CHRM2CHRM4
SCHEMBL31459830 0.79 CYP19A1 (0.51) SLC18A3NAAACYP19A1CHRM2CHRM4

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 SLC18A3 3843/4885NAAA 1469/4885CYP19A1 444/4885

“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.