SCHEMBL277984

SCHEMBL277984

C=C(COCCO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.35
TET2 Q6N021 4/20 0.33
TET3 O43151 1/20 0.33
TET1 Q8NFU7 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
GRM1 Q13255 1/20 0.32
GRM2 Q14416 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8977369 0.96 MEN1 (0.48) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL3208895 0.96 MEN1 (0.48) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL6034724 0.96 MEN1 (0.48) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL351637 0.82 TET2 (0.40) TSHRTET2TET3TET1GRIK1
Di(Hydroxyethyl)Ether SCHEMBL8815476 0.79 TSHR (0.46) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL585948 0.79 TSHR (0.46) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL2219165 0.79 CES2 (0.38) TSHRTET2TET3TET1GRIK1
SCHEMBL3286421 0.77 ALDH1A1 (0.35) TSHRALDH1A1TET2TET3TET1
SCHEMBL4566618 0.77 CES2 (0.32) TET2TET3TET1GRIK1GRIK2
Itaconate SCHEMBL8899071 0.77 HSD17B10 (0.54) TSHRMAPK1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3870236-B1 NANOPARTICLE ENCAPSULATION TO TARGET G PROTEIN-COUPLED RECEPTORS IN ENDOSOMES TAKEDA PHARMACEUTICALS CO (JP) 2023-08-09 EP claimed
US-20230010001-A1 PHOTOCROSSLINKED HYDROGELS BLENDED COMPOSITION, PREPARATION AND USE THEREOF NATIONAL TAIWAN UNIVERSITY (TW) 2023-01-12 US claimed
US-20220231333-A1 QUASI-SOLID AND SOLID-STATE ELECTROLYTE FOR LITHIUM-ION AND LITHIUM METAL BATTERIES AND MANUFACTURING METHOD HONEYCOMB BATTERY COMPANY 2022-07-21 US claimed
WO-2022150849-A1 FLAME-RESISTANT QUASI-SOLID AND SOLID-STATE ELECTROLYTE FOR LITHIUM-ION AND LITHIUM METAL BATTERIES AND PRODUCTION METHOD GLOBAL GRAPHENE GROUP, INC. (US) 2022-07-14 WO claimed
US-20220118159-A1 ANTIOXIDANT-RELEASING VITREOUS SUBSTITUTES AND USES THEREOF OHIO STATE INNOVATION FOUNDATION 2022-04-21 US claimed
US-11267286-B2 Rubber composition for tire tread and tire manufactured by using same HANKOOK TIRE & TECHNOLOGY CO., LTD. (KR) 2022-03-08 US claimed
US-20220031849-A1 NANOPARTICLE ENCAPSULATION TO TARGET G PROTEIN-COUPLED RECEPTORS IN ENDOSOMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-02-03 US claimed
EP-2276475-B1 BIODEGRADABLE NANOSHELLS FOR DELIVERY OF THERAPEUTIC AND/OR IMAGING MOLECULES NAT UNIV IRELAND GALWAY (IE) 2021-11-03 EP claimed
EP-3741780-B1 RUBBER COMPOSITION FOR TIRE TREAD AND TIRE MANUFACTURED BY USING SAME HANKOOK TIRE & TECH CO LTD (KR) 2021-05-12 EP claimed
US-20200369085-A1 RUBBER COMPOSITION FOR TIRE TREAD AND TIRE MANUFACTURED BY USING SAME HANKOOK TIRE & TECHNOLOGY CO., LTD. (KR) 2020-11-26 US claimed
US-6828025-B2 Using controlled/living polymerization to ensure preparation of an amphiphilic copolymer in suspension polymerization conditions; polymerization carried out by atom transfer radical polymerization MCMASTER UNIVERSITY (CA) 2004-12-07 US claimed
US-20040203149-A1 Composite materials comprising supported porous gels MERCK MILLIPORE LTD. (IE) 2004-10-14 US claimed
US-20040032038-A1 Microencapsulation of polar liquids in copolymer shells MCMASTER UNIVERSITY (CA) 2004-02-19 US claimed
US-6673886-B2 FOR INTRAOCULAR LENSES BAUSCH & LOMB INCORPORATED 2004-01-06 US claimed
US-20030181613-A1 Amphiphilic diblock, triblock and star-block copolymers and their pharmaceutical compositions ENDO GLOBAL VENTURES (BM) 2003-09-25 US claimed
US-6511769-B1 Lithium salt, solvent, and thermosetting resin comprising a polyoxyethylene glycol acrylate SAMSUNG SDI CO., LTD (KR) 2003-01-28 US claimed
US-6451895-B1 One step process for making breathable, clay filled polymer compositions having controlled stability in contact with aqueous fluids KIMBERLY-CLARK WORLDWIDE, INC. 2002-09-17 US claimed
US-6407160-B2 POLYMER PARTICLE COMPRISING A WAX PHASE OF GIVEN MELTING POINT AND A POLYMER PHASE OF A COPOLYMER OF A MONOMER THAT WOULD FORM A WATER SOLUBLE HOMOPOLYMER AND ONE THAT WOULD FORM A WATER INSOLUBLE HOMOPOLYMER; FORMS STABLE DISPERSIONS EASTMAN KODAK COMPANY 2002-06-18 US claimed
US-6075118-A A MELT BLEND COMPRISING A POLY(VINYL ALCOHOL) AND A POLYLACTIDE, WHEREIN THE POLYLACTIDE IS GRAFTED WITH A POLAR MONOMER, OLIGOMER OR POLYMER OR MIXTURE ONTO ITS BACKBONE KIMBERLY-CLARK WORLDWIDE, INC. (US) 2000-06-13 US claimed
US-4548844-A IMPARTS LUBRICANT AND MOISTURE TRANSMISSION PROPERTIES Podell, Howard I. (US) 1985-10-22 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20220031849-A1 NANOPARTICLE ENCAPSULATION TO TARGET G PROTEIN-COUPLED RECEPTORS IN ENDOSOMES GPR88, GPR65, ARRB1 TSHR 1125/4885MAPK1 2007/4885MEN1 3215/4885

“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.