SCHEMBL244829

SCHEMBL244829

CCCCCC1(CC(=O)O)CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 2/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
BLM P54132 1/20 0.50
CACNA2D1 P54289 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 2/20 0.43
AKR1B1 P15121 1/20 0.40
CYP2C19 P33261 1/20 0.39
PPARG P37231 5/20 0.39
PPARD Q03181 5/20 0.39
PPARA Q07869 5/20 0.39
HDAC11 Q96DB2 4/20 0.39
GPR84 Q9NQS5 3/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 0.39

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
SCHEMBL8735260 0.98 TSHR (0.48) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL8736846 0.98 TSHR (0.53) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL8734939 0.98 TSHR (0.48) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL8733717 0.98 TSHR (0.48) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL8733702 0.98 TSHR (0.48) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL27274533 0.96 TSHR (0.52) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL10534570 0.96 TSHR (0.52) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL27272549 0.96 TSHR (0.52) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL27270393 0.96 TSHR (0.52) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL8735253 0.96 TSHR (0.52) TSHRALDH1A1CYP1A2USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3430111-A1 PERFUME COMPOSITIONS Givaudan SA (CH) 2019-01-23 EP claimed
WO-2017157985-A1 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2017-09-21 WO claimed
US-20250235136-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2025-07-24 US disclosed
US-12336820-B2 Methods of preparing/optimizing perfume compositions GIVAUDAN SA (CH) 2025-06-24 US disclosed
US-12319647-B2 2-(2,4,5-trimethylcyclohex-2-en-1-yl)acetaldehyde and derivatives and their use as aroma chemicals BASF SE (DE) 2025-06-03 US disclosed
US-20250032375-A1 SOLVENT MIXTURES COMPRISING 1,3-BUTYLENE GLYCOL AND TRIETHYL-CITRATE GIVAUDAN SA (CH) 2025-01-30 US disclosed
US-12195698-B2 Fragrance compound providing lily of the valley fragrance characteristics, and fragranced compositions comprising the same GIVAUDAN SA (CH) 2025-01-14 US disclosed
US-12187978-B2 Use of (3-acetoxy-2,2-dimethyl-propyl) acetate in combination with (3-hydroxy-2,2-dimethyl-propyl) acetate as an aroma chemical BASF SE (DE) 2025-01-07 US disclosed
US-20240352490-A1 NOVEL PRODUCTION OF AROMA COMPOUNDS WITH IONYLIDENEETHANE SYNTHASES BASF SE (DE) 2024-10-24 US disclosed
US-12012570-B2 Acetate compounds useful as odorants GIVAUDAN SA (CH) 2024-06-18 US disclosed
US-20230212483-A1 Improvements in or Relating to Organic Compounds GIVAUDAN SA (CH) 2023-07-06 US disclosed
US-20120004156-A1 RINSE ADDED AMINOSILICONE CONTAINING COMPOSITIONS AND METHODS OF USING SAME THE PROCTER & GAMBLE COMPANY 2012-01-05 US disclosed
US-20110257430-A1 NOVEL COCRYSTALLIZATION APTUIT (KANSAS CITY), LLC (US) 2011-10-20 US disclosed
US-20100325812-A1 Rinse Added Aminosilicone Containing Compositions and Methods of Using Same THE PROCTER & GAMBLE COMPANY 2010-12-30 US disclosed
US-20100267601-A1 FABRIC CARE COMPOSITIONS COMPRISING ORGANOSILOXANE POLYMERS THE PROCTER & GAMBLE COMPANY (US) 2010-10-21 US disclosed
US-20090281195-A1 NOVEL COCRYSTALLIZATION S.S.C.I., INC. (US) 2009-11-12 US disclosed
US-7452555-B2 Cocrystallization S.S.C.I., INC. (US) 2008-11-18 US disclosed
US-20070287194-A1 Screening For Solid Forms By Ultrasound Crystallization And Cocrystallization Using Ultrasound S.S.C.I., INC 2007-12-13 US disclosed
US-20070088508-A1 Cocrystallization methods APTUIT (WEST LAFAYETTE), LLC 2007-04-19 US disclosed
WO-2007038524-A2 COCRYSTALLIZATION METHODS SSCI, INC. (US) 2007-04-05 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 (3 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-12012570-B2 Acetate compounds useful as odorants OR10J3, OR51E2, TRPA1 TSHR 4429/4885ALDH1A1 6/4885CYP1A2 657/4885
US-12195698-B2 Fragrance compound providing lily of the valley fragrance characteristics, and fragranced compositions comprising the same MDH2, MDH1, TRPV1 TSHR 4765/4885ALDH1A1 237/4885CYP1A2 122/4885
US-12319647-B2 2-(2,4,5-trimethylcyclohex-2-en-1-yl)acetaldehyde and derivatives and their use as aroma chemicals ADH5, ECH1, ALG3 TSHR 4349/4885ALDH1A1 4/4885CYP1A2 187/4885

“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.