SCHEMBL8037898

SCHEMBL8037898

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ABCC4 O15439 1/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 3/20 0.33
GAA P10253 1/20 0.33
FAAH O00519 4/20 0.33
KMT2A Q03164 1/20 0.30
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL29955983 0.81 ABCC4 (0.35) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL20917199 0.78 MAPT (0.33) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL11027834 0.78 LSS (0.35) ALDH1A1GAA
SCHEMBL22458995 0.78 FAAH (0.36) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL11027832 0.78 LSS (0.35) ALDH1A1GAA
SCHEMBL23529588 0.77 KMT2A (0.31) KMT2A
SCHEMBL3628936 0.77 HPGD (0.35) ALDH1A1TSHRKMT2A
SCHEMBL11029083 0.76 TSHR (0.36) ALDH1A1TSHR
SCHEMBL7499380 0.76 LMNA (0.32) MAPTABCC4ALDH1A1LMNA
SCHEMBL11029073 0.76 TSHR (0.36) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1500477-A Quick result aerosol with plant aroma and its preparation 丛繁滋 2004-06-02 CN claimed
US-11820864-B2 Aqueous polyglycidol synthesis with ultra-low branching VANDERBILT UNIVERSITY (US) 2023-11-21 US disclosed
US-11807726-B2 Method of crosslinking glycosaminoglycans CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-11-07 US disclosed
US-20230312779-A1 Method for Multicolor Lithography Using Mechanical Force CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-10-05 US disclosed
US-20180134843-A1 AQUEOUS POLYGLYCIDOL SYNTHESIS WITH ULTRA-LOW BRANCHING VANDERBILT UNIVERSITY 2018-05-17 US disclosed
US-20180125983-A1 Linear Polyester and Semi-Linear Glycidol Polymer Systems: Formulation and Synthesis of Novel Monomers and Macromolecular Structures UNIV VANDERBILT (US) 2018-05-10 US disclosed
US-9757463-B2 Linear polyester and semi-linear glycidol polymer systems: formulation and synthesis of novel monomers and macromolecular structures VANDERBILT UNIVERSITY (US) 2017-09-12 US disclosed
US-9745419-B2 Aqueous polyglycidol synthesis with ultra-low branching VANDERBILT UNIVERSITY (US) 2017-08-29 US disclosed
US-20160367525-A1 USES OF SESQUITERPENE LACTONE COMPOUNDS AND THEIR DERIVATIVES IN DRUGS PREPARATION ACCENDATECH (CN) 2016-12-22 US disclosed
US-20160206743-A1 Linear Polyester and Semi-Linear Glycidol Polymer Systems: Formulation and Synthesis of Novel Monomers and Macromolecular Structures VANDERBILT UNIVERSITY 2016-07-21 US disclosed
US-8426527-B2 Crosslinkable fluororubber composition and crosslinked rubber article ASAHI GLASS COMPANY, LIMITED (JP) 2013-04-23 US disclosed
US-20120202950-A1 CROSSLINKABLE FLUORORUBBER COMPOSITION AND CROSSLINKED RUBBER ARTICLE ASAHI GLASS COMPANY, LIMITED (JP) 2012-08-09 US disclosed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 US disclosed
CN-1572335-A Self-Service respiratory vaccination instrument for SARS infectious disease CONG FANZI (CN) 2005-02-02 CN disclosed
CN-1394596-A Peroral and pernasal administration compound, spray and auxiliary preparation and its preparation method CONG FANZI (CN) 2003-02-05 CN disclosed
EP-0548774-B1 Process for producing a lactone or an ester SUMITOMO CHEMICAL CO (JP) 2000-03-15 EP disclosed
US-5405974-A Reacting a ketone, oxygen, an aromatic aldehyde using an aromatic solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-04-11 US disclosed
EP-0548774-A1 Process for producing a lactone or an ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-30 EP 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-20180125983-A1 Linear Polyester and Semi-Linear Glycidol Polymer Systems: Formulation and Synthesis of Novel Monomers and Macromolecular Structures STT3A, STT3B, B3GAT3 MAPT 175/4885ABCC4 3591/4885ALDH1A1 4091/4885
US-20160206743-A1 Linear Polyester and Semi-Linear Glycidol Polymer Systems: Formulation and Synthesis of Novel Monomers and Macromolecular Structures STT3A, STT3B, B3GAT3 MAPT 175/4885ABCC4 3591/4885ALDH1A1 4091/4885
US-20160367525-A1 USES OF SESQUITERPENE LACTONE COMPOUNDS AND THEIR DERIVATIVES IN DRUGS PREPARATION MCL1, TNF, LSS MAPT 4674/4885ABCC4 285/4885ALDH1A1 70/4885
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 MAPT 3769/4885ABCC4 1232/4885ALDH1A1 48/4885
US-11807726-B2 Method of crosslinking glycosaminoglycans CD44, HPSE, CSGALNACT1 MAPT 4850/4885ABCC4 1755/4885ALDH1A1 646/4885

“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.