SCHEMBL685408

SCHEMBL685408

C=C(C)C(=O)OCCNC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
TSHR P16473 5/20 0.50
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HIF1A Q16665 1/20 0.43
MTNR1A P48039 4/20 0.42
MTNR1B P49286 4/20 0.42
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL14984891 0.93 THRB (0.46) THRBTSHRALDH1A1MAPK1KDM4E
SCHEMBL10093531 0.91 THRB (0.49) THRBTSHRALDH1A1MAPK1KDM4E
SCHEMBL12358264 0.90 THRB (0.61) THRBTSHRALDH1A1MAPK1KDM4E
SCHEMBL10093548 0.89 TSHR (0.46) THRBTSHRALDH1A1MAPK1KDM4E
SCHEMBL2720435 0.88 TSHR (0.56) THRBTSHRALDH1A1MAPK1KDM4E
SCHEMBL10093528 0.88 KDM4E (0.52) THRBTSHRMAPK1KDM4EHIF1A
SCHEMBL12808628 0.88 THRB (0.52) THRBTSHRALDH1A1MAPK1KDM4E
SCHEMBL16309318 0.88 THRB (0.52) THRBTSHRALDH1A1MTNR1AMTNR1B
SCHEMBL2195083 0.88 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
Naphthalene SCHEMBL21246707 0.87 MTNR1A (0.51) THRBTSHRALDH1A1MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4327513-A None JP disclosed
WO-2024203572-A1 COPOLYMER AND CONTACT LENS TREATMENT SOLUTION 日油株式会社 2024-10-03 WO disclosed
US-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers MITSUI CHEMICALS, INC. (JP) 2023-10-17 US disclosed
EP-2608767-B1 POLYMER COMPOSITIONS AND METHODS SAUDI ARAMCO TECH CO (SA) 2023-07-26 EP disclosed
US-20230159753-A1 POLYROTAXANE ADDITIVES FOR RIGID POLYMERS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2023-05-25 US disclosed
US-20230159753-A1 POLYROTAXANE ADDITIVES FOR RIGID POLYMERS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2023-05-25 US disclosed
EP-3402544-B1 BIOCOMPATIBLE POLYSACCHARIDE HYDROGELS AND METHODS OF USAGE SUN GUOMING (US) 2022-12-07 EP disclosed
US-20220220308-A1 POLYAMIDE-IMIDE BLOCK COPOLYMERS, PREPARATION METHOD THEREOF AND POLYAMIDE-IMIDE FILM COMPRISING THE SAME LG CHEM, LTD. (KR) 2022-07-14 US disclosed
US-20220220262-A1 FLUORINE-CONTAINING CURABLE COMPOSITION AND ARTICLE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-07-14 US disclosed
US-20220125687-A1 DENTAL COMPOSITIONS COMPRISING NANOPARTICLES PROVIDING A REFRACTIVE INDEX DIFFERENTIAL BETWEEN POLYMERIZABLE RESIN AND FILLER SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2022-04-28 US disclosed
EP-1864777-A1 Structuring hydrogels DWI an der RWTH Aachen e.V. (DE) 2007-12-12 EP disclosed
WO-2007128051-A1 BIOLOGICAL POLYSILOXANES VISION CRC LIMITED (AU) 2007-11-15 WO disclosed
US-20070160838-A1 Stabilized semiconductor nanocrystals MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-07-12 US disclosed
US-20070160838-A1 Stabilized semiconductor nanocrystals MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-07-12 US disclosed
US-7160613-B2 Stabilized semiconductor nanocrystals MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-01-09 US disclosed
US-7160613-B2 Stabilized semiconductor nanocrystals MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-01-09 US disclosed
US-5780559-A CLEAR COATS PPG INDUSTRIES, INC. (US) 1998-07-14 US disclosed
WO-1998003599-A1 CURABLE FILM-FORMING COMPOSITIONS CONTAINING AMIDE FUNCTIONAL POLYMERS PPG INDUSTRIES, INC. (US) 1998-01-29 WO disclosed
US-5300537-A Bonding dental fillings BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
JP-H04327513-A COMPOUND CAPABLE OF PROMOTING DENTIN ADHESION, PRETREATING AGENT AND BONDING COMPOSITION CONTAINING THE SAME TERUMO CORP 1992-11-17 JP 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-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers PAM, CAD, FHIT THRB 873/4885TSHR 2948/4885ALDH1A1 1173/4885
US-20220125687-A1 DENTAL COMPOSITIONS COMPRISING NANOPARTICLES PROVIDING A REFRACTIVE INDEX DIFFERENTIAL BETWEEN POLYMERIZABLE RESIN AND FILLER EPN1, ARCN1, RARA THRB 4179/4885TSHR 3320/4885ALDH1A1 484/4885

“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.