SCHEMBL598598

SCHEMBL598598

C=CCC(CCCCCCC)OC(CC=C)CCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
FAAH O00519 1/20 0.35
DNM1 Q05193 2/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
SMPD1 P17405 3/20 0.33
OPRM1 P35372 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
THRB P10828 1/20 0.33
FFAR1 O14842 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
SCHEMBL10608825 1.00 TSHR (0.43) TSHRALDH1A1LMNAFAAHDNM1
SCHEMBL11414764 1.00 TSHR (0.43) TSHRALDH1A1LMNAFAAHDNM1
SCHEMBL10795533 1.00 TSHR (0.43) TSHRALDH1A1LMNAFAAHDNM1
SCHEMBL798042 0.91 TSHR (0.39) TSHRALDH1A1DNM1
SCHEMBL1723662 0.86 TSHR (0.41) TSHRALDH1A1LMNAFAAHDNM1
SCHEMBL997186 0.86 TSHR (0.41) TSHRALDH1A1LMNAFAAHDNM1
SCHEMBL11742763 0.84 TSHR (0.40) TSHRALDH1A1LMNAFAAHDNM1
SCHEMBL15266065 0.84 TSHR (0.40) TSHRALDH1A1LMNAFAAHDNM1
SCHEMBL1170088 0.82 TSHR (0.33) TSHRALDH1A1
SCHEMBL20557296 0.82 TSHR (0.64) TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160172678-A1 BINDER FOR NON-AQUEOUS ELECTRICITY STORAGE ELEMENT, AND NON-AQUEOUS ELECTRICITY STORAGE ELEMENT KYORITSU CHEMICAL & CO., LTD. (JP) 2016-06-16 US disclosed
EP-2314657-B1 Emissive lamps comprising metal clusters confined in molecular sieves UNIV LEUVEN KATH (BE) 2012-09-26 EP disclosed
EP-2162923-B1 SOLAR CELLS UNIV LEUVEN KATH (BE) 2012-08-22 EP disclosed
US-8115374-B2 Emissive lamps comprising metal clusters confined in molecular sieves KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-02-14 US disclosed
EP-2314657-A2 Emissive lamps comprising metal clusters confined in molecular sieves Katholieke Universiteit Leuven (BE) 2011-04-27 EP disclosed
EP-2167607-B1 LIGHT-EMITTING MATERIALS FOR ELECTROLUMINESCENT DEVICES UNIV LEUVEN KATH (BE) 2011-03-02 EP disclosed
US-20110018425-A1 EMISSIVE LAMPS COMPRISING METAL CLUSTERS CONFINED IN MOLECULAR SIEVES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-01-27 US disclosed
EP-2167610-B1 EMISSIVE LAMPS COMPRISING METAL CLUSTERS CONFINED IN MOLECULAR SIEVES UNIV LEUVEN KATH (BE) 2010-12-29 EP disclosed
EP-2165294-B1 NEW MATERIALS FOR DATA STORAGE UNIV LEUVEN KATH (BE) 2010-11-10 EP disclosed
US-20100236611-A1 SOLAR CELLS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-09-23 US disclosed
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2005-04-07 US disclosed
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2004-07-29 US disclosed
US-20040092777-A1 Method for producing allyl compound MITSUBISHI CHEMICAL CORPORATION (JP) 2004-05-13 US disclosed
US-6613813-B1 Offset printing ink composition comprising colophony-modified phenolic resin, maleic resin, modified hydrocarbon resin, and/or colophony resin ester, and water insoluble fatty acid ester of multivalent alcohol or ethinol BORGMANN URSULA (DE) 2003-09-02 US disclosed
EP-0866081-A1 GRAFTED POLYOLEFIN RESIN AND THERMOPLASTIC RESIN COMPOSITION CONTAINING THE SAME KANEKA CORPORATION (JP) 1998-09-23 EP disclosed
US-4678857-A SOLVENT HAVING VERY DIFFERENT DENSITY FROM THAT OF WATER TEXACO INC. (US) 1987-07-07 US disclosed
US-4533742-A USING RHODIUM CARBONYL CATALYST TEXACO INC. (US) 1985-08-06 US disclosed
US-4529808-A Mixture of hydrocarbon and amide solvents TEXACO INC. (US) 1985-07-16 US disclosed
US-4464399-A INFUSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1984-08-07 US disclosed
US-4267262-A MIXTURE OF CELLULOSE ACETATE AND POLYMER CONTAINING MONOESTERS OF MALEIC ACID FUJI PHOTO FILM CO., LTD. (JP) 1981-05-12 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 (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-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 TSHR 4449/4885ALDH1A1 1665/4885LMNA 4141/4885
US-20040092777-A1 Method for producing allyl compound CCNT1, APEX1, REV1 TSHR 4147/4885ALDH1A1 636/4885LMNA 4173/4885
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby CCNT1, AOC3, ATL3 TSHR 3258/4885ALDH1A1 790/4885LMNA 3467/4885

“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.