SCHEMBL2817896

SCHEMBL2817896

C=CC(O)CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.47
KEAP1 Q14145 1/20 0.43
ANPEP P15144 2/20 0.43
ERAP1 Q9NZ08 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ERAP2 Q6P179 1/20 0.43
ACP3 P15309 1/20 0.42
SLC6A3 Q01959 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL13879583 1.00 MMP13 (0.47) MMP13KEAP1ANPEPERAP1TDP1
SCHEMBL6763477 0.89 MMP12 (0.54) MMP13HDAC1HDAC2FFAR1
SCHEMBL1274725 0.88 HDAC3 (0.47) MMP13TDP1SLC6A3HDAC3MAPK1
SCHEMBL18943248 0.86 TRPA1 (0.51) TDP1SLC6A3HDAC3MAPK1ADRA1A
SCHEMBL18942747 0.86 TRPA1 (0.51) TDP1SLC6A3HDAC3MAPK1ADRA1A
SCHEMBL18943238 0.85 TRPA1 (0.54) SLC6A3HDAC3MAPK1ADRA1AHDAC4
SCHEMBL18942752 0.85 TRPA1 (0.54) SLC6A3HDAC3MAPK1ADRA1AHDAC4
SCHEMBL3459118 0.85 TRPA1 (0.54) SLC6A3HDAC3MAPK1ADRA1AHDAC4
SCHEMBL24726829 0.82 PTGIR (0.45) CYP3A4CYP2D6SMN1; SMN2TRPA1TSHR
SCHEMBL13258072 0.80 TAAR1 (0.42) MMP13FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137690-B2 PEG-BASED MACROMONOMERS, CHEMICALLY INERT POLYMERS PREPARED THEREFROM AND THE USE OF THESE POLYMERS FOR ORGANIC SYNTHESIS AND ENZYME REACTIONS CARLSBERG AS (DK) 2007-01-24 EP claimed
EP-1137690-B1 PEG-BASED MACROMONOMERS, CHEMICALLY INERT POLYMERS PREPARED THEREFROM AND THE USE OF THESE POLYMERS FOR ORGANIC SYNTHESIS AND ENZYME REACTIONS CARLSBERG AS (DK) 2004-11-10 EP claimed
EP-1137690-A2 PEG-BASED MACROMONOMERS, CHEMICALLY INERT POLYMERS PREPARED THEREFROM AND THE USE OF THESE POLYMERS FOR ORGANIC SYNTHESIS AND ENZYME REACTIONS Carlsberg A/S (DK) 2001-10-04 EP claimed
WO-2000018823-A2 PEG-BASED MACROMONOMERS, CHEMICALLY INERT POLYMERS PREPARED THEREFROM AND THE USE OF THESE POLYMERS FOR ORGANIC SYNTHESIS AND ENZYME REACTIONS CARLSBERG A/S (DK) 2000-04-06 WO claimed
CN-118125919-A Preparation method of conjugated triene compound 华南理工大学 2024-06-04 CN disclosed
CN-116829537-A Process for preparing prostaglandin analogues supplied with nitric oxide 尼科斯股份有限公司 2023-09-29 CN disclosed
CN-111484472-B Process for preparing alkylnitriles 中国科学院上海有机化学研究所 2023-07-07 CN disclosed
EP-4112599-A1 KEY INTERMEDIATE FOR SYNTHESIZING PROSTAGLANDIN COMPOUNDS AND PREPARATION METHOD THEREFOR SHENZHEN CATALYS TECHNOLOGY CO., LTD. (CN) 2023-01-04 EP disclosed
WO-2022057734-A1 KEY INTERMEDIATE FOR SYNTHESIZING PROSTAGLANDIN COMPOUNDS AND PREPARATION METHOD THEREFOR 凯特立斯(深圳)科技有限公司 2022-03-24 WO disclosed
US-20210340107-A1 NRF2 ACTIVATOR BIOGEN MA INC. 2021-11-04 US disclosed
EP-3875450-A1 NRF2 ACTIVATOR Biogen MA Inc. (US) 2021-09-08 EP disclosed
EP-3562816-B1 NRF2 ACTIVATOR BIOGEN MA INC (US) 2021-01-20 EP disclosed
EP-0295056-B1 ANTI-INFLAMMATORY FURANONES ALLERGAN, INC (US) 1992-08-05 EP disclosed
US-5134128-A Immunosuppressive and antiproliferative activity for psoriasis and calcium homeostasis ALLERGAN, INC. (US) 1992-07-28 US disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed
EP-0295056-A1 Anti-inflammatory furanones ALLERGAN, INC (US) 1988-12-14 EP disclosed
EP-0046033-B1 METHOD FOR ASYMMETRIC EPOXIDATION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1986-10-15 EP disclosed
US-4594439-A Resolution of chiral carbinol having aliphatic unsaturation THE BOARD OF TRUSTEES OF THE LELAND STANFORD JR. UNIVERSITY (US) 1986-06-10 US disclosed
US-4471130-A SELECTIVE STEREOISOMERS BY REACTING AN ALKENOL AND HYDROPEROXIDE USING A TRANSITION METAL ALKOKIDE CATALYST THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1984-09-11 US disclosed
EP-0046033-A1 Method for asymmetric epoxidation THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1982-02-17 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 (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-20210340107-A1 NRF2 ACTIVATOR NFE2L2, KEAP1, NQO1 MMP13 4580/4885KEAP1 2/4885ANPEP 4659/4885

“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.