SCHEMBL3147442

SCHEMBL3147442

C[CH]CCC(C)CCC=C(C)C

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.68
ALDH1A1 P00352 2/20 0.68
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 1/20 0.45
USP2 O75604 1/20 0.45
NFE2L2 Q16236 1/20 0.42
GGPS1 O95749 2/20 0.37
FDPS P14324 2/20 0.37
GLA P06280 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL4451113 0.94 ALOX15 (0.61) ALOX15ALDH1A1TDP1TSHRUSP2
SCHEMBL3912321 0.84 ALOX15 (0.59) ALOX15ALDH1A1TDP1TSHRUSP2
SCHEMBL19681520 0.82 ALOX15 (0.63) ALOX15ALDH1A1TDP1TSHRUSP2
SCHEMBL8062162 0.82 ALOX15 (0.76) ALOX15ALDH1A1TDP1TSHRUSP2
SCHEMBL8062160 0.82 ALOX15 (0.76) ALOX15ALDH1A1TDP1TSHRUSP2
SCHEMBL8062155 0.82 ALOX15 (0.76) ALOX15ALDH1A1TDP1TSHRUSP2
SCHEMBL1200445 0.82 ALOX15 (0.63) ALOX15ALDH1A1TDP1TSHRUSP2
SCHEMBL10616732 0.82 ALOX15 (0.63) ALOX15ALDH1A1TDP1TSHRUSP2
SCHEMBL5505780 0.82 ALOX15 (0.63) ALOX15ALDH1A1TDP1TSHRUSP2
SCHEMBL1200446 0.82 ALOX15 (0.63) ALOX15ALDH1A1TDP1TSHRUSP2

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 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185239-B1 PRO-FRAGRANCES PROCTER & GAMBLE (US) 2010-03-10 EP claimed
US-6861402-B1 Pro-fragrances THE PROCTER & GAMBLE COMPANY (US) 2005-03-01 US claimed
EP-1171566-B1 PRO-FRAGRANCES PROCTER & GAMBLE (US) 2004-12-22 EP claimed
US-20040067870-A1 Fragrance raw materials aldehydes and pro-fragrances having a tertiary alpha carbon atom THE PROCTER & GAMBLE COMPANY 2004-04-08 US claimed
US-6551987-B1 For delivering fragrance raw material ketones, preferably alpha , beta -unsaturated ketones, inter alia, damascones, ionones to human skins THE PROCTER & GAMBLE COMPANY 2003-04-22 US claimed
JP-2002542380-A 2002-12-10 JP claimed
EP-1185239-A1 PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 2002-03-13 EP claimed
EP-1171566-A1 PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 2002-01-16 EP claimed
EP-1171556-A1 FRAGRANCE RAW MATERIALS ALDEHYDES AND PRO-FRAGRANCES HAVING A TERTIARY ALPHA CARBON ATOM THE PROCTER & GAMBLE COMPANY (US) 2002-01-16 EP claimed
WO-2000072816-A1 PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 2000-12-07 WO claimed
WO-2000063339-A1 PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 2000-10-26 WO claimed
WO-2000063329-A1 FRAGRANCE RAW MATERIALS ALDEHYDES AND PRO-FRAGRANCES HAVING A TERTIARY ALPHA CARBON ATOM THE PROCTER & GAMBLE COMPANY (US) 2000-10-26 WO claimed
US-9890351-B2 Encapsulates THE PROCTER & GAMBLE COMPANY (US) 2018-02-13 US disclosed
EP-1280882-B2 HIGHLY CONCENTRATED FABRIC SOFTENER COMPOSITIONS AND ARTICLES CONTAINING SUCH COMPOSITIONS PROCTER & GAMBLE (US) 2014-03-12 EP disclosed
US-20130039962-A1 ENCAPSULATES ENCAPSYS, LLC 2013-02-14 US disclosed
WO-2012085864-A1 ENCAPSULATES PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA (CH) 2012-06-28 WO disclosed
WO-1999021954-A1 LAUNDRY COMPOSITIONS HAVING REDUCED MALODOR AND METHODS FOR PROVIDING THE SAME THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 WO disclosed
WO-1998047478-A1 PERFUMES HAVING ODOR LONGEVITY BENEFITS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed
WO-1998047996-A1 LAUNDRY DETERGENT COMPOSITIONS COMPRISING FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed
WO-1998047477-A1 FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 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 (2 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-20130039962-A1 ENCAPSULATES ABCB4, PPIB, FLNB ALOX15 433/4885ALDH1A1 696/4885TDP1 2006/4885
US-20040067870-A1 Fragrance raw materials aldehydes and pro-fragrances having a tertiary alpha carbon atom CUTA, TRPA1, HRH1 ALOX15 1397/4885ALDH1A1 51/4885TDP1 3502/4885

“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.