SCHEMBL6289521

SCHEMBL6289521

C=C(C(=O)CC)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 1/20 0.48
SOAT1 P35610 1/20 0.44
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLO1 Q04760 1/20 0.40
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
THRB P10828 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
TRPA1 O75762 1/20 0.36
FAAH O00519 2/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL16812273 0.86 GAA (0.41) ALDH1A1MAPTTSHRSOAT1LMNA
SCHEMBL28293945 0.85 ALDH1A1 (0.56) ALDH1A1MAPTTSHRSOAT1LMNA
SCHEMBL13269637 0.85 ALDH1A1 (0.56) ALDH1A1MAPTTSHRSOAT1LMNA
SCHEMBL79588 0.85 ALDH1A1 (0.56) ALDH1A1MAPTTSHRSOAT1LMNA
SCHEMBL28099320 0.82 ALDH1A1 (0.54) ALDH1A1MAPTTSHRSOAT1LMNA
SCHEMBL31238536 0.82 SOAT1 (0.50) ALDH1A1MAPTTSHRSOAT1LMNA
Ammonia Solution, Strong SCHEMBL28294025 0.82 ALDH1A1 (0.54) ALDH1A1MAPTTSHRSOAT1LMNA
SCHEMBL14934920 0.82 ALDH1A1 (0.46) ALDH1A1MAPTTSHRSOAT1LMNA
SCHEMBL11771728 0.82 CES2 (0.46) ALDH1A1MAPTTSHRSOAT1LMNA
SCHEMBL11253654 0.80 ALDH1A1 (0.44) ALDH1A1MAPTTSHRSOAT1LMNA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3725815-B1 ACTIVE ENERGY RAY-CURABLE COMPOSITION UNIV TOKYO SCIENCE FOUND (JP) 2022-10-05 EP disclosed
CN-111465623-B Active energy ray-curable composition 学校法人东京理科大学 2022-08-02 CN disclosed
US-11180579-B2 Active energy ray-curable composition TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2021-11-23 US disclosed
US-20210070893-A1 ACTIVE ENERGY RAY-CURABLE COMPOSITION TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2021-03-11 US disclosed
EP-3725815-A1 ACTIVE ENERGY RAY-CURABLE COMPOSITION Tokyo University of Science Foundation (JP) 2020-10-21 EP disclosed
CN-111465623-A Active energy ray-curable composition 学校法人东京理科大学 2020-07-28 CN disclosed
US-20190315892-A1 POLYMERS INCLUDING A METHYLENE BETA-KETOESTER AND PRODUCTS FORMED THEREFROM SIRRUS, INC. 2019-10-17 US disclosed
US-20170355789-A1 POLYMERS INCLUDING A METHYLENE BETA-KETOESTER AND PRODUCTS FORMED THEREFROM SIRRUS, INC. 2017-12-14 US disclosed
US-20170355789-A1 POLYMERS INCLUDING A METHYLENE BETA-KETOESTER AND PRODUCTS FORMED THEREFROM SIRRUS, INC. 2017-12-14 US disclosed
US-20170073438-A1 POLYMERS INCLUDING A METHYLENE BETA-KETOESTER AND PRODUCTS FORMED THEREFROM SIRRUS, INC. 2017-03-16 US disclosed
US-20170073438-A1 POLYMERS INCLUDING A METHYLENE BETA-KETOESTER AND PRODUCTS FORMED THEREFROM SIRRUS, INC. 2017-03-16 US disclosed
US-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS AQUINO CHRISTOPHER JOSEPH 2009-02-26 US disclosed
US-6921746-B2 Multifunctional polymers, method for the production and use thereof BASF AKTIENGESELLSCHAFT (DE) 2005-07-26 US disclosed
US-20030236178-A1 Multifunctional polymers, method for the production and use thereof BASF AKTIENGESELLSCHAFT (DE) 2003-12-25 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-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR1 ALDH1A1 2775/4885MAPT 4293/4885TSHR 3057/4885
US-20170355789-A1 POLYMERS INCLUDING A METHYLENE BETA-KETOESTER AND PRODUCTS FORMED THEREFROM BHMT2, BHMT, MACF1 ALDH1A1 562/4885MAPT 980/4885TSHR 4885/4885
US-20190315892-A1 POLYMERS INCLUDING A METHYLENE BETA-KETOESTER AND PRODUCTS FORMED THEREFROM BHMT2, MACF1, BHMT ALDH1A1 426/4885MAPT 974/4885TSHR 4880/4885

“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.