SCHEMBL737740

SCHEMBL737740

C=C(CCCC)C(=O)ON

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.42
CES2 O00748 5/20 0.42
ALDH1A1 P00352 4/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 5/20 0.38
CA1 P00915 1/20 0.38
AKR1B1 P15121 1/20 0.34
PPARG P37231 5/20 0.33
PPARD Q03181 5/20 0.33
PPARA Q07869 5/20 0.33
HDAC11 Q96DB2 4/20 0.33
GPR84 Q9NQS5 3/20 0.33
TLR2 O60603 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FABP4 P15090 2/20 0.33
PTPN1 P18031 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
MEN1 O00255 1/20 0.33
ESR1 P03372 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
SCHEMBL28526149 0.92 CES2 (0.46) CES1CES2ALDH1A1TSHRPPARG
SCHEMBL28891396 0.90 CES2 (0.45) CES1CES2ALDH1A1TSHRPPARG
SCHEMBL2954775 0.86
Methacrylic Acid SCHEMBL7948425 0.83 ALDH1A1 (0.46) CES1CES2ALDH1A1TSHRALOX15
SCHEMBL6916133 0.82 CES1 (0.46) CES1CES2ALDH1A1TP53TSHR
Butane SCHEMBL11085259 0.82 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL1298659 0.80 CES1 (0.44) CES1CES2ALDH1A1TP53TSHR
SCHEMBL198129 0.80 CES1 (0.44) CES1CES2ALDH1A1TP53TSHR
SCHEMBL10579259 0.78 TSHR (0.42) CES1CES2ALDH1A1TP53TSHR
SCHEMBL1514197 0.78 CES1 (0.42) CES1CES2ALDH1A1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111334240-A Reactive polyurethane hot melt adhesive and preparation method and application thereof 北京华腾新材料股份有限公司 2020-06-26 CN claimed
EP-3030244-B1 POLYCONJUGATES FOR DELIVERY OF RNAI TRIGGERS TO TUMOR CELLS IN VIVO ARROWHEAD PHARMACEUTICALS INC (US) 2021-04-21 EP disclosed
CN-107007871-B Folic acid-phosphorylcholine oligomer-modified graphene oxide and preparation method and application thereof 南京大学 2020-09-08 CN disclosed
CN-111334240-A Reactive polyurethane hot melt adhesive and preparation method and application thereof 北京华腾新材料股份有限公司 2020-06-26 CN disclosed
US-10022456-B2 Reversibly masked polymers Arrowhead Pharmaceuticals, Inc. (US) 2018-07-17 US disclosed
US-20170022497-A1 Polyconjugates for Delivery of RNAi triggers to Tumor Cells In Vivo Arrowhead Pharmaceuticals, Inc. 2017-01-26 US disclosed
US-9487556-B2 Polyconjugates for delivery of RNAi triggers to tumor cells in vivo Arrowhead Pharmaceuticals, Inc. (US) 2016-11-08 US disclosed
EP-3030244-A1 POLYCONJUGATES FOR DELIVERY OF RNAI TRIGGERS TO TUMOR CELLS IN VIVO Arrowhead Research Corporation (US) 2016-06-15 EP disclosed
US-20150273081-A1 Reversibly Masked Polymers SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2015-10-01 US disclosed
US-20150045573-A1 Polyconjugates for Delivery of RNAi triggers to Tumor Cells In Vivo Arrowhead Pharmaceuticals, Inc. 2015-02-12 US disclosed
US-20080281044-A1 Endosomolytic Modified Poly(Alcohol) and Poly(Amine) Polymers ROCHE MADISON INC. 2008-11-13 US disclosed
US-20080281074-A1 Compounds and Methods for Reversible Modification of Biologically Active Molecules Arrowhead Madison Inc. 2008-11-13 US disclosed
US-20080281041-A1 Reverse deactivation of membrane active polymers; cell delivery; labile bonding of polyamines, polyvinyl alcohol, polyallylamine or polyoxyethylene glycol Arrowhead Madison Inc. 2008-11-13 US disclosed
US-20080269450-A1 Endosomolytic Poly-Beta-Aminoester Polymers ROCHE MADISON INC. 2008-10-30 US disclosed
CN-100419007-C Ambient cure coating and coated rubber products formed therefrom LORD CORP (US) 2008-09-17 CN disclosed
CN-1671779-A Ambient cured coatings and coated rubber products therefrom LORD CORP (US) 2005-09-21 CN disclosed
US-6568997-B2 Forming a passivating layer copper oxide for reducing the reaction of the copper metal with the polishing mixtures; reducing the problem of dishing of copper circuits of semiconductor devices RODEL HOLDINGS, INC. 2003-05-27 US disclosed
US-20020173241-A1 CMP polishing composition for semiconductor devices containing organic polymer particles ROHM AND HAAS ELECTRONIC MATERIALS CMP HOLDINGS, INC. 2002-11-21 US disclosed
US-20020173243-A1 Polishing composition having organic polymer particles RODEL HOLDINGS, INC. 2002-11-21 US disclosed
WO-2002081584-A1 POLISHING COMPOSITION HAVING ORGANIC POLYMER PARTICLES RODEL HOLDINGS, INC. (US) 2002-10-17 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 (5 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-20170022497-A1 Polyconjugates for Delivery of RNAi triggers to Tumor Cells In Vivo PAM, PLAUR, M6PR CES1 2072/4885CES2 2301/4885ALDH1A1 4683/4885
US-20150045573-A1 Polyconjugates for Delivery of RNAi triggers to Tumor Cells In Vivo PAM, PLAUR, M6PR CES1 2072/4885CES2 2301/4885ALDH1A1 4683/4885
US-20150273081-A1 Reversibly Masked Polymers CD47, MSN, EPCAM CES1 2843/4885CES2 1525/4885ALDH1A1 4496/4885
US-10022456-B2 Reversibly masked polymers CD47, MSN, EPCAM CES1 2843/4885CES2 1525/4885ALDH1A1 4496/4885
US-20080281074-A1 Compounds and Methods for Reversible Modification of Biologically Active Molecules HDAC6, CD47, AADAC CES1 3415/4885CES2 2358/4885ALDH1A1 4389/4885

“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.