SCHEMBL2171733

SCHEMBL2171733

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSK P43235 1/20 0.32
ELANE P08246 1/20 0.32
ALOX15 P16050 1/20 0.31
CA12 O43570 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL5972831 0.83
SCHEMBL22267735 0.80 SMN1; SMN2 (0.33) TSHRSMN1; SMN2CTSK
SCHEMBL5733670 0.80 SMN1; SMN2 (0.33) TSHRSMN1; SMN2CTSK
SCHEMBL17905404 0.79 SLC7A5 (0.30)
SCHEMBL28714914 0.78 SMN1; SMN2 (0.32) TSHRSMN1; SMN2CTSK
SCHEMBL17928315 0.77 TSHR (0.35) TSHRSMN1; SMN2ELANEALOX15CA12
SCHEMBL684797 0.77 TSHR (0.35) TSHRSMN1; SMN2ELANEALOX15CA12
SCHEMBL16840157 0.77 TSHR (0.35) TSHRSMN1; SMN2ELANEALOX15CA12
SCHEMBL16840158 0.77 TSHR (0.35) TSHRSMN1; SMN2ELANEALOX15CA12
SCHEMBL295903 0.75

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 62 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
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 US disclosed
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
US-10428058-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2019-10-01 US disclosed
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-19 US disclosed
WO-2019025007-A1 SCENT SWITCH DEVICE SYMRISE AG (DE) 2019-02-07 WO disclosed
US-20190031648-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES PHARMA IRELAND LTD (IE) 2019-01-31 US disclosed
US-10040787-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-08-07 US disclosed
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 US disclosed
WO-2010053891-A1 MALODOR CONTROL SYSTEM THE PROCTER & GAMBLE COMPANY (US) 2010-05-14 WO disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 US 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 (8 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 TSHR 1775/4885SMN1; SMN2 3661/4885CTSK 4679/4885
US-20190031648-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 TSHR 3738/4885SMN1; SMN2 606/4885CTSK 1006/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 TSHR 3738/4885SMN1; SMN2 606/4885CTSK 1006/4885
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 TSHR 3738/4885SMN1; SMN2 606/4885CTSK 1006/4885
US-10428058-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 TSHR 3738/4885SMN1; SMN2 606/4885CTSK 1006/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE TSHR 1280/4885SMN1; SMN2 673/4885CTSK 4290/4885
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 TSHR 2891/4885SMN1; SMN2 1880/4885CTSK 2193/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 TSHR 3738/4885SMN1; SMN2 606/4885CTSK 1006/4885

“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.