SCHEMBL2172944

SCHEMBL2172944

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
PMP22 Q01453 1/20 0.34
NLRP3 Q96P20 1/20 0.34

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
SCHEMBL12390095 0.81 MMP8 (0.39) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL14296192 0.81 MMP8 (0.32)
SCHEMBL14296191 0.81 MMP8 (0.32)
SCHEMBL14296154 0.81 MMP8 (0.32)
SCHEMBL12873254 0.79 MMP8 (0.30)
SCHEMBL8420382 0.79 CYP3A4 (0.33) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL26231189 0.78 CYP3A4 (0.35) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL13227842 0.76 MMP8 (0.33)
SCHEMBL13227576 0.76 MMP8 (0.33)
SCHEMBL2355142 0.74 ALDH1A1 (0.36) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1

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 22 patents — showing the first 20. 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
CN-101031411-B Method for making adjustable compositions CALHOUN VISION INC 2012-01-11 CN 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
CN-101031411-A Method for making adjustable compositions CALHOUN VISION INC (US) 2007-09-05 CN 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
EP-0639047-B1 HERBICIDAL COMPOSITIONS KVK AGRO AS (DK) 1999-10-06 EP disclosed
EP-0637910-B1 STABILIZED HERBICIDE COMPOSITIONS KVK AGRO AS (DK) 1996-06-05 EP disclosed
EP-0639047-A1 HERBICIDAL COMPOSITIONS KVK AGRO A/S (DK) 1995-02-22 EP disclosed
EP-0637910-A1 STABILIZED HERBICIDE COMPOSITIONS. KVK AGRO AS (DK) 1995-02-15 EP disclosed
WO-1992009197-A1 STABILIZED HERBICIDE COMPOSITIONS KVK AGRO A/S (DK) 1992-06-11 WO disclosed
WO-1992009195-A1 HERBICIDAL COMPOSITIONS KVK AGRO A/S (DK) 1992-06-11 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 CYP3A4 504/4885CYP1A2 1870/4885CYP2D6 1102/4885

“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.