SCHEMBL1781296

SCHEMBL1781296

CCCc1ccc(CCC(OC)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.47
LIPG Q9Y5X9 2/20 0.47
CA2 P00918 2/20 0.39
THRB P10828 2/20 0.38
MGLL Q99685 1/20 0.37
PLK1 P53350 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP12 P39900 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CA1 P00915 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL31553561 0.81 MMP12 (0.39) HTTSMN1; SMN2MMP12
SCHEMBL31553562 0.81 MMP12 (0.39) HTTSMN1; SMN2MMP12
SCHEMBL28979853 0.81 ESR1 (0.52) CA2L3MBTL1
SCHEMBL873038 0.80 MMP12 (0.45) SMN1; SMN2MMP12
SCHEMBL15818388 0.76 SLC6A4 (0.56)
SCHEMBL142480 0.75 LPL (0.62) LPLLIPGCA2THRBMGLL
SCHEMBL4071110 0.75 ALDH1A1 (0.50) CA2SMN1; SMN2MMP12CA1
SCHEMBL1781027 0.74 LPL (0.42) LPLLIPGCA2THRBMGLL
SCHEMBL31753655 0.74 DPP4 (0.49) CA2MMP12CA1
SCHEMBL31753280 0.74 CYP4A11 (0.60) CA2MGLLCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322495-B1 Novel 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INT FLAVORS & FRAGRANCES INC (US) 2013-01-02 EP disclosed
EP-2322495-B1 Novel 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INT FLAVORS & FRAGRANCES INC (US) 2013-01-02 EP disclosed
EP-2333038-B1 Novel 4-Alkyl Cyclohexanepropanal Compounds and their use in Perfume Compositions INT FLAVORS & FRAGRANCES INC (US) 2012-06-13 EP disclosed
EP-2333038-B1 Novel 4-Alkyl Cyclohexanepropanal Compounds and their use in Perfume Compositions INT FLAVORS & FRAGRANCES INC (US) 2012-06-13 EP disclosed
US-8188023-B2 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2012-05-29 US disclosed
US-8188023-B2 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2012-05-29 US disclosed
US-8188023-B2 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2012-05-29 US disclosed
US-8168834-B2 4-alkyl 1-(3-methoxy-2-propen-1-yl) benzene compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2012-05-01 US disclosed
US-8168834-B2 4-alkyl 1-(3-methoxy-2-propen-1-yl) benzene compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2012-05-01 US disclosed
US-8168834-B2 4-alkyl 1-(3-methoxy-2-propen-1-yl) benzene compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2012-05-01 US disclosed
US-20110117046-A1 NOVEL 4-ALKYL CYCLOHEXANEPROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-05-19 US disclosed
US-20110117046-A1 NOVEL 4-ALKYL CYCLOHEXANEPROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-05-19 US disclosed
US-20110117046-A1 NOVEL 4-ALKYL CYCLOHEXANEPROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-05-19 US disclosed
US-20110118509-A1 NOVEL 4-ALKYL 1-(3-METHOXY-2-PROPEN-1-YL) BENZENE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-05-19 US disclosed
US-20110118509-A1 NOVEL 4-ALKYL 1-(3-METHOXY-2-PROPEN-1-YL) BENZENE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-05-19 US disclosed
EP-2322495-A1 Novel 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions International Flavors & Fragrances Inc. (US) 2011-05-18 EP disclosed
EP-2322495-A1 Novel 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions International Flavors & Fragrances Inc. (US) 2011-05-18 EP disclosed
US-7834219-B1 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2010-11-16 US disclosed
US-7834219-B1 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2010-11-16 US disclosed
US-7834219-B1 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2010-11-16 US 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-20110118509-A1 NOVEL 4-ALKYL 1-(3-METHOXY-2-PROPEN-1-YL) BENZENE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS TRPA1, OR51E2, CYP1B1 LPL 1171/4885LIPG 2199/4885CA2 4681/4885
US-20110117046-A1 NOVEL 4-ALKYL CYCLOHEXANEPROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS TRPA1, FAAH2, FAAH LPL 1317/4885LIPG 902/4885CA2 4196/4885

“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.