SCHEMBL3131898

SCHEMBL3131898

CC(C)CC(C)CC(O)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
ANPEP P15144 1/20 0.31

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
SCHEMBL11890301 0.84
SCHEMBL11890306 0.84
SCHEMBL107498 0.84
SCHEMBL5509376 0.77 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL1789330 0.77 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL5505711 0.77 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL12079309 0.77 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL599901 0.77 TSHR (0.47) TSHRALDH1A1MAPK1ANPEP
SCHEMBL13482188 0.77 TSHR (0.32) TSHRALDH1A1MAPK1ANPEP
SCHEMBL10456925 0.77 TSHR (0.33) TSHRALDH1A1MAPK1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1352047-A1 GELS FOR THE TARGETED RELEASE OF ODORIFEROUS SUBSTANCES Henkel Kommanditgesellschaft auf Aktien (DE) 2003-10-15 EP claimed
EP-1294792-A1 ORGANOLEPTICALLY ACTIVE ALCOHOLS BONDED TO BIODEGRADABLE POLYESTER Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-26 EP claimed
WO-2002055648-A1 GELS FOR THE TARGETED RELEASE OF ODORIFEROUS SUBSTANCES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-07-18 WO claimed
US-6369248-B1 HYDROXY ESTERS FOR PERFUMES GIVAUDAN SA (CH) 2002-04-09 US claimed
WO-2001094442-A1 ORGANOLEPTICALLY ACTIVE ALCOHOLS BONDED TO BIODEGRADABLE POLYESTER HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-13 WO claimed
US-6262287-B1 POLYSILOXANE OLIGOMERS GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 2001-07-17 US claimed
EP-0980863-A1 Oxime carboxylic acid derivatives Givaudan Roure (International) S.A. (CH) 2000-02-23 EP claimed
EP-0953562-A1 Beta, gamma-unsaturated delta-keto esters Givaudan Roure (International) S.A. (CH) 1999-11-03 EP claimed
EP-0000771-A2 2,5,7-Trimethyloctane-3-ol and 2,4-dimethylnonane-8-ol; processes for their preparation; their use as olfactory agents; olfactory compositions containing them, as well as the preparation of such olfactory compositions L. Givaudan & Cie Société Anonyme (CH) 1979-02-21 EP claimed
EP-3279300-B1 FRAGRANCE COMPOSITION KAO CORP (JP) 2019-03-27 EP disclosed
US-20180265805-A1 RELEASE OF ODORIFEROUS SUBSTANCES FROM MICROCAPSULES HENKEL AG & CO. KGAA (DE) 2018-09-20 US disclosed
US-9981937-B2 Orthoformic acid esters as pro-fragrances HENKEL AG & CO. KGAA (DE) 2018-05-29 US disclosed
EP-3279300-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2018-02-07 EP disclosed
US-20170349565-A1 ORTHOFORMIC ACID ESTERS AS PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2017-12-07 US disclosed
EP-0000771-B1 2,5,7-TRIMETHYLOCTANE-3-OL AND 2,4-DIMETHYLNONANE-8-OL; PROCESSES FOR THEIR PREPARATION; THEIR USE AS OLFACTORY AGENTS; OLFACTORY COMPOSITIONS CONTAINING THEM, AS WELL AS THE PREPARATION OF SUCH OLFACTORY COMPOSITIONS L. Givaudan & Cie Société Anonyme (CH) 1981-09-16 EP disclosed
EP-0000771-B1 2,5,7-TRIMETHYLOCTANE-3-OL AND 2,4-DIMETHYLNONANE-8-OL; PROCESSES FOR THEIR PREPARATION; THEIR USE AS OLFACTORY AGENTS; OLFACTORY COMPOSITIONS CONTAINING THEM, AS WELL AS THE PREPARATION OF SUCH OLFACTORY COMPOSITIONS L. Givaudan & Cie Société Anonyme (CH) 1981-09-16 EP disclosed
US-4198532-A 2,5,7-TIRMETHYL-OCTAN-3-OL OR 6,8-DIMETHYL-NONAN-2-OL GIVAUDAN CORPORATION (US) 1980-04-15 US disclosed
EP-0000771-A2 2,5,7-Trimethyloctane-3-ol and 2,4-dimethylnonane-8-ol; processes for their preparation; their use as olfactory agents; olfactory compositions containing them, as well as the preparation of such olfactory compositions L. Givaudan & Cie Société Anonyme (CH) 1979-02-21 EP disclosed
EP-0000771-A2 2,5,7-Trimethyloctane-3-ol and 2,4-dimethylnonane-8-ol; processes for their preparation; their use as olfactory agents; olfactory compositions containing them, as well as the preparation of such olfactory compositions L. Givaudan & Cie Société Anonyme (CH) 1979-02-21 EP disclosed
EP-0000771-A2 2,5,7-Trimethyloctane-3-ol and 2,4-dimethylnonane-8-ol; processes for their preparation; their use as olfactory agents; olfactory compositions containing them, as well as the preparation of such olfactory compositions L. Givaudan & Cie Société Anonyme (CH) 1979-02-21 EP 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-20170349565-A1 ORTHOFORMIC ACID ESTERS AS PRO-FRAGRANCES FAAH, NISCH, ELOVL6 TSHR 3901/4885ALDH1A1 95/4885MAPK1 1840/4885

“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.