SCHEMBL996778

SCHEMBL996778

CC(=O)OC(C)CCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
TBXA2R P21731 1/20 0.48
BLM P54132 2/20 0.47
GALR3 O60755 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTPN1 P18031 2/20 0.42
FAAH O00519 5/20 0.41
TRPV1 Q8NER1 1/20 0.40
LMNA P02545 1/20 0.39
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALOX15 P16050 1/20 0.35
CA1 P00915 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL13674336 0.93 FAAH (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7757360 0.86 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14590461 0.86 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1302084 0.86 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4443385 0.86 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1300727 0.86 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4444590 0.86 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5610948 0.86 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11425834 0.86 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14991226 0.84 BLM (0.43) BLMPTPN1FAAHTRPV1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111770923-B Heterocyclic compound and harmful arthropod control agent containing same 住友化学株式会社 2024-04-09 CN disclosed
CN-117561319-A O-alkylated sterically hindered antioxidants 松原实业有限公司 2024-02-13 CN disclosed
CN-111918865-B Heterocyclic compound and harmful arthropod control composition containing same 住友化学株式会社 2023-10-27 CN disclosed
CN-116601263-A Compositions comprising alkylated diphenylamines with enhanced properties 松原实业有限公司 2023-08-15 CN disclosed
US-11161102-B2 Iminium salt organocatalysts, method of making, and methods of using UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2021-11-02 US disclosed
US-20190344253-A1 IMINIUM SALT ORGANOCATALYSTS, METHOD OF MAKING, AND METHODS OF USING UNIV VIRGINIA PATENT FOUNDATION (US) 2019-11-14 US disclosed
WO-2017223287-A1 IMINIUM SALT ORGANOCATALYSTS, METHODS OF MAKING, AND METHODS OF USING UNIVERSITY OF VIRGINIA (US) 2017-12-28 WO disclosed
US-20110015397-A1 Selective Aliphatic C-H Oxidation THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-01-20 US disclosed
US-7829342-B2 composition including a complex of a metal, a tetradentate ligand, at least one ancillary ligand, and a counterion is used for selective sp3 C H bond oxidation; includes a N-heterocyclic-N,N'-bis(pyridyl)-ethane-1,2-diamine group or a N,N'-bis(heterocyclic)-N,N'-bis(pyridyl)-ethane-1,2-diamine group THE BOARD OF TRUSTEES OF THE UNIVERSIY OF ILLINOIS (US) 2010-11-09 US disclosed
US-20090221083-A1 Selective Aliphatic C-H Oxidation BOARD OF TRUSTEES OF UNIVERSITY OF ILLINOIS (US) 2009-09-03 US disclosed
US-6077821-A FOR USE IN DELIVERING SUSTAINED RELEASE OR ENHANCED LONGEVITY FRAGRANCES TO A VARIETY OF PERSONAL CARE AND PERSONAL HYGIENE PRODUCTS INTER ALIA DEODORANTS, BODY LOTIONS OR CREAMS, AND SHAMPOOS THE PROCTER & GAMBLE COMPANY (US) 2000-06-20 US disclosed
WO-2000011134-A1 DRYER-ADDED FABRIC SOFTENER COMPOSITIONS COMPRISING A TERNARY FRAGRANCE DELIVERY SYSTEM THE PROCTER & GAMBLE COMPANY (US) 2000-03-02 WO disclosed
EP-0977549-A1 PERFUMES HAVING ODOR LONGEVITY BENEFITS THE PROCTER & GAMBLE COMPANY (US) 2000-02-09 EP disclosed
US-6013618-A ORTHOESTERS, KETALS, ACETALS, ORTHOCARBONATES WHICH RELEASE TWO OR MORE FRAGRANCE RAW MATERIALS UPON HYDROLYSIS PROCTER & GAMBLE COMPANY (US) 2000-01-11 US disclosed
WO-1999043639-A1 TERTIARY ALCOHOL FRAGRANCE RAW MATERIAL DELIVERY SYSTEM THE PROCTER & GAMBLE COMPANY (US) 1999-09-02 WO disclosed
US-5919752-A ORTHOESTERS, KETALS, ACETALS, ORTHOCARBONATES WHICH RELEASE TWO OR MORE FRAGRANCE RAW MATERIALS UPON HYDROLYSIS. PROCTER & GAMBLE (US) 1999-07-06 US 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-1998047996-A1 LAUNDRY DETERGENT COMPOSITIONS COMPRISING FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed
WO-1998047478-A1 PERFUMES HAVING ODOR LONGEVITY BENEFITS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed
CN-1130620-A Novel process for producing 2-isooctyl acetate WUJIANG SYNTHETIC PERFUMERY (CN) 1996-09-11 CN 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-20110015397-A1 Selective Aliphatic C-H Oxidation AOC3, SOD3, AP3S1 TSHR 3550/4885CHRM2 3023/4885CHRM4 1692/4885
US-20090221083-A1 Selective Aliphatic C-H Oxidation AOC3, SOD3, AP3S1 TSHR 3550/4885CHRM2 3023/4885CHRM4 1692/4885

“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.