SCHEMBL5322372

SCHEMBL5322372

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CTSK P43235 1/20 0.30
CYP19A1 P11511 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
SCHEMBL10781500 0.84 NAALAD2 (0.38)
SCHEMBL28245654 0.82 ALDH1A1 (0.36) TSHRALDH1A1MEN1CYP2C19RECQL
SCHEMBL10881602 0.78 TSHR (0.33) TSHRALDH1A1MEN1CYP2C19RECQL
SCHEMBL5689906 0.78 TSHR (0.35) TSHRALDH1A1MEN1CYP2C19RECQL
SCHEMBL13392782 0.76 USP2 (0.41) TSHRALDH1A1MEN1CYP2C19RECQL
SCHEMBL10928929 0.75
SCHEMBL9714842 0.75
SCHEMBL6797456 0.74 CYP19A1 (0.47) TSHRALDH1A1MEN1CYP2C19RECQL
SCHEMBL8744242 0.74 ALDH1A1 (0.30) TSHRALDH1A1MEN1CYP2C19RECQL
SCHEMBL8372725 0.73 TSHR (0.39) TSHRALDH1A1MEN1CYP2C19RECQL

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-20030036489-A1 Consumable composition comprising perfumed particles and article containing the same THE PROCTER & GAMBLE COMPANY 2003-02-20 US claimed
WO-2002090479-A1 PERFUMED PARTICLES AND ARTICLES CONTAINING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO claimed
WO-2002090481-A1 COMPOSITIONS AND ARTICLES FOR EFFECTIVE DEPOSITION OF PERFUME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO claimed
WO-2007128326-A1 PERFUME DELIVERY SYSTEM FOR CLEANERS EVONIK GOLDSCHMIDT GMBH (DE) 2007-11-15 WO disclosed
US-20060160711-A1 Perfume delivery system GOLDSCHMIDT CHEMICAL CORPORATION (US) 2006-07-20 US disclosed
US-7071157-B2 Dryer-added fabric softening articles and methods THE PROCTER & GAMBLE COMPANY (US) 2006-07-04 US disclosed
US-20050003996-A1 Dryer-added fabric softening articles and methods THE PROCTER & GAMBLE COMPANY 2005-01-06 US disclosed
US-6787510-B2 FLEXIBLE SHEET IMPREGNATED WITH FABRIC CONDITIONER THE PROCTER & GAMBLE COMPANY 2004-09-07 US disclosed
EP-1383547-A2 AIR FRESHENING COMPOSITIONS, ARTICLES COMPRISING SAME AND METHODS FOR PREPARING SAME THE PROCTER & GAMBLE COMPANY (US) 2004-01-28 EP disclosed
US-20030036489-A1 Consumable composition comprising perfumed particles and article containing the same THE PROCTER & GAMBLE COMPANY 2003-02-20 US disclosed
US-20030024997-A1 Air freshening compositions, articles comprising same and methods THE PROCTER & GAMBLE COMPANY 2003-02-06 US disclosed
US-20030013632-A1 Dryer-added fabric softening articles and methods THE PROCTER & GAMBLE COMPANY 2003-01-16 US disclosed
WO-2002090479-A1 PERFUMED PARTICLES AND ARTICLES CONTAINING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO disclosed
WO-2002089862-A2 AIR FRESHENING COMPOSITIONS, ARTICLES COMPRISING SAME AND METHODS FOR PREPARING SAME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 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-20030024997-A1 Air freshening compositions, articles comprising same and methods PIEZO1, TMEM63A, KIT TSHR 4670/4885ALDH1A1 4356/4885MEN1 1736/4885

“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.