SCHEMBL454418

SCHEMBL454418

CC(=O)OCC1C2C=CC(C2)C1COC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.41
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.33
HTT P42858 1/20 0.33
PKM P14618 1/20 0.33
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL30959771 1.00 NLRP3 (0.41) NLRP3ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL7230011 1.00 NLRP3 (0.41) NLRP3ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL13346537 0.93 NLRP3 (0.37) NLRP3ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL13346554 0.89 NLRP3 (0.36) NLRP3ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL1088791 0.89 NLRP3 (0.37) NLRP3ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL1088512 0.87 NLRP3 (0.36) NLRP3ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL13346552 0.87 ALDH1A1 (0.39) NLRP3ALDH1A1LMNASMN1; SMN2
SCHEMBL13346555 0.86 CA12 (0.39) NLRP3ALDH1A1LMNAHSD17B10CYP3A4
SCHEMBL1088471 0.84 NLRP3 (0.35) NLRP3
SCHEMBL13346574 0.83 NLRP3 (0.36) NLRP3ALDH1A1LMNAHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371641-A Cyclic olefin ring-opening polymer and hydride thereof 杭州睿丰融创科技有限公司 2025-01-28 CN disclosed
WO-2023088919-A1 IMINIUM SALTS WITH A BARRALENE RING, CORRESPONDING RUTHENIUM COMPLEXES, AND USES THEREOF ECOLE NATIONALE SUPÉRIEURE DE CHIMIE DE RENNES (FR) 2023-05-25 WO disclosed
US-20220219155-A1 Compositions And Methods For Visible-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2022-07-14 US disclosed
US-20220161245-A1 Compositions And Methods For Infrared-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2022-05-26 US disclosed
US-11331656-B2 Compositions and methods for visible-light-controlled ruthenium-catalyzed olefin metathesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-05-17 US disclosed
US-9701704-B2 Catalysts for (E)-selective olefin metathesis CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-07-11 US disclosed
US-9701704-B2 Catalysts for (E)-selective olefin metathesis CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-07-11 US disclosed
EP-2634197-B1 CATALYST FOR NORBORNENE MONOMER POLYMERIZATION AND METHOD FOR PRODUCING NORBORNENE POLYMER SHOWA DENKO KK (JP) 2017-05-31 EP disclosed
US-20170104214-A1 FUSED-RING QUINONE-SUBSTITUTED POLYNORBORNENE, ELECTRODE ACTIVE MATERIAL AND SECONDARY BATTERY WASEDA UNIVERSITY (JP) 2017-04-13 US disclosed
US-20170104214-A1 FUSED-RING QUINONE-SUBSTITUTED POLYNORBORNENE, ELECTRODE ACTIVE MATERIAL AND SECONDARY BATTERY WASEDA UNIVERSITY (JP) 2017-04-13 US disclosed
EP-2614091-A2 CATALYST FOR POLYMERIZING NORBORNENE MONOMERS AND A METHOD FOR PRODUCING NORBORNENE POLYMER Showa Denko K.K. (JP) 2013-07-17 EP disclosed
US-20130059993-A1 CATALYST FOR POLYMERIZATION OF NORBORNENE MONOMERS, METHOD FOR PRODUCING NORBORNENE POLYMER, METHOD FOR PRODUCING NORBORNENE COPOLYMER, NORBORNENE POLYMER AND TRANSITION METAL COMPLEX SHOWA DENKO K.K. (JP) 2013-03-07 US disclosed
WO-2012033227-A2 CATALYST FOR POLYMERIZING NORBORNENE MONOMERS AND A METHOD FOR PRODUCING NORBORNENE POLYMER SHOWA DENKO K.K. (JP) 2012-03-15 WO disclosed
US-7714087-B2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2010-05-11 US disclosed
US-20090137757-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof IMUTA JUNICHI 2009-05-28 US disclosed
US-7393907-B2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2008-07-01 US disclosed
US-6518305-B1 For inhibiting neuraminidases from disease- causing microorganisms, especially, influenza neuraminidase ABBOTT LABORATORIES 2003-02-11 US disclosed
WO-2001028979-A2 INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2001-04-26 WO disclosed
EP-1087938-A1 INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2001-04-04 EP disclosed
WO-1999054290-A1 INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 1999-10-28 WO 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 (4 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-11331656-B2 Compositions and methods for visible-light-controlled ruthenium-catalyzed olefin metathesis PPOX, CYBA, CYBB NLRP3 3828/4885ALDH1A1 1395/4885LMNA 4173/4885
US-20130059993-A1 CATALYST FOR POLYMERIZATION OF NORBORNENE MONOMERS, METHOD FOR PRODUCING NORBORNENE POLYMER, METHOD FOR PRODUCING NORBORNENE COPOLYMER, NORBORNENE POLYMER AND TRANSITION METAL COMPLEX NNMT, PPOX, DNMT1 NLRP3 3609/4885ALDH1A1 277/4885LMNA 4080/4885
US-20220161245-A1 Compositions And Methods For Infrared-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis CYBB, CYBA, CYB5R3 NLRP3 3557/4885ALDH1A1 714/4885LMNA 4482/4885
US-20220219155-A1 Compositions And Methods For Visible-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis PPOX, CYBA, CYBB NLRP3 3828/4885ALDH1A1 1395/4885LMNA 4173/4885

“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.