SCHEMBL1055586

SCHEMBL1055586

CC(=O)O[C@H](C)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
EPHX1 P07099 4/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MMP2 P08253 2/20 0.40
CA9 Q16790 2/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRK1 P41145 1/20 0.35
ATM Q13315 1/20 0.35
DHODH Q02127 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 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
SCHEMBL11170830 1.00 TSHR (0.50) TSHREPHX1CA12CA1CA2
SCHEMBL1051503 1.00 TSHR (0.50) TSHREPHX1CA12CA1CA2
SCHEMBL873507 1.00 TSHR (0.50) TSHREPHX1CA12CA1CA2
SCHEMBL6050318 0.88
SCHEMBL4626349 0.84 LMNA (0.39) TSHREPHX1LMNASMN1; SMN2
Butyric Acid SCHEMBL28983073 0.84 FFAR3 (0.42) TSHREPHX1LMNASMN1; SMN2CYP1A2
SCHEMBL8444779 0.82 TSHR (0.44) TSHREPHX1CA12CA1CA2
SCHEMBL6559706 0.82 TSHR (0.50) TSHRLMNASMN1; SMN2
SCHEMBL9609345 0.82 TSHR (0.44) TSHREPHX1CA12CA1CA2
SCHEMBL8674655 0.82 TSHR (0.44) TSHREPHX1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8506943-B2 Cyclohexylethyl carboxylic acid ester compositions and method for using the same for reducing malodors INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-08-13 US disclosed
US-8506943-B2 Cyclohexylethyl carboxylic acid ester compositions and method for using the same for reducing malodors INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-08-13 US disclosed
US-8506943-B2 Cyclohexylethyl carboxylic acid ester compositions and method for using the same for reducing malodors INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2013-08-13 US disclosed
EP-2281581-B1 Method of using cyclohexylethyl carboxylic acid esters for reducing malodors INT FLAVORS & FRAGRANCES INC (US) 2013-04-17 EP disclosed
EP-2281581-B1 Method of using cyclohexylethyl carboxylic acid esters for reducing malodors INT FLAVORS & FRAGRANCES INC (US) 2013-04-17 EP disclosed
US-20110250159-A1 CYCLOHEXYLETHYL CARBOXYLIC ACID ESTER COMPOSITIONS AND METHOD FOR USING THE SAME FOR REDUCING MALODORS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-10-13 US disclosed
US-20110250159-A1 CYCLOHEXYLETHYL CARBOXYLIC ACID ESTER COMPOSITIONS AND METHOD FOR USING THE SAME FOR REDUCING MALODORS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-10-13 US disclosed
US-20110250158-A1 CYCLOHEXYLETHYL CARBOXYLIC ACID ESTER COMPOSITIONS AND METHOD FOR USING THE SAME FOR REDUCING MALODORS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-10-13 US disclosed
US-20110250158-A1 CYCLOHEXYLETHYL CARBOXYLIC ACID ESTER COMPOSITIONS AND METHOD FOR USING THE SAME FOR REDUCING MALODORS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-10-13 US disclosed
US-20110250158-A1 CYCLOHEXYLETHYL CARBOXYLIC ACID ESTER COMPOSITIONS AND METHOD FOR USING THE SAME FOR REDUCING MALODORS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-10-13 US disclosed
US-7993633-B2 Cyclohexylethyl carboxylic acid ester compositions and method for using the same for reducing malodors INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-08-09 US disclosed
EP-2281581-A1 Cyclohexylethyl carboxylic acid ester compositions and method for using the same for reducing malodors International Flavors & Fragrances Inc. (US) 2011-02-09 EP disclosed
EP-2281581-A1 Cyclohexylethyl carboxylic acid ester compositions and method for using the same for reducing malodors International Flavors & Fragrances Inc. (US) 2011-02-09 EP disclosed
US-20110014142-A1 CYCLOHEXYLETHYL CARBOXYLIC ACID ESTER COMPOSITIONS AND METHOD FOR USING THE SAME FOR REDUCING MALODORS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-01-20 US disclosed
US-20110014142-A1 CYCLOHEXYLETHYL CARBOXYLIC ACID ESTER COMPOSITIONS AND METHOD FOR USING THE SAME FOR REDUCING MALODORS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-01-20 US disclosed
US-20110014142-A1 CYCLOHEXYLETHYL CARBOXYLIC ACID ESTER COMPOSITIONS AND METHOD FOR USING THE SAME FOR REDUCING MALODORS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-01-20 US disclosed
US-20080227978-A1 Converting a carbonyl group within a substrate to a chiral alcohol moiety by reacting the carbonyl containing substrate with an organoaluminium reagent in the presence of a Group 5-12 transition metal based catalyst which is complexed with a chiral ligand; excellent yields THE UNIVERSITY OF NOTTINGHAM 2008-09-18 US disclosed
US-7156731-B2 Resolution of chiral compounds using aminocyclopentadienyl ruthenium catalysts POSTECH FOUNDATION (KR) 2007-01-02 US disclosed
WO-2005095629-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED ESTERS AND ALCOHOLS BY MEANS OF AZEOTROPICALLY DRIED ENZYME COMPOSITIONS DSM IP ASSETS B.V. (NL) 2005-10-13 WO disclosed
US-20050130282-A1 Resolution of chiral compounds using aminocyclopentadienyl ruthenium catalysts POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2005-06-16 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 (4 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-20110014142-A1 CYCLOHEXYLETHYL CARBOXYLIC ACID ESTER COMPOSITIONS AND METHOD FOR USING THE SAME FOR REDUCING MALODORS ME1, BCHE, PCCA TSHR 2873/4885EPHX1 251/4885CA12 1998/4885
US-20110250158-A1 CYCLOHEXYLETHYL CARBOXYLIC ACID ESTER COMPOSITIONS AND METHOD FOR USING THE SAME FOR REDUCING MALODORS ME1, BCHE, PCCA TSHR 2873/4885EPHX1 251/4885CA12 1998/4885
US-20080227978-A1 Converting a carbonyl group within a substrate to a chiral alcohol moiety by reacting the carbonyl containing substrate with an organoaluminium reagent in the presence of a Group 5-12 transition metal based catalyst which is complexed with a chiral ligand; excellent yields ADH5, ADH1C, CYP2E1 TSHR 3877/4885EPHX1 2421/4885CA12 101/4885
US-20110250159-A1 CYCLOHEXYLETHYL CARBOXYLIC ACID ESTER COMPOSITIONS AND METHOD FOR USING THE SAME FOR REDUCING MALODORS ME1, BCHE, PCCA TSHR 2873/4885EPHX1 251/4885CA12 1998/4885

“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.