SCHEMBL2045141

SCHEMBL2045141

CCOc1ccc2ccccc2c1-c1c(OCC)ccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.65
MAPT P10636 1/20 0.62
DHFR P00374 1/20 0.52
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 1/20 0.47
PTGS2 P35354 1/20 0.46
S1PR1 P21453 2/20 0.46
MAPK1 P28482 2/20 0.46
HPGD P15428 1/20 0.46
S1PR3 Q99500 1/20 0.46
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL30142113 1.00 ALOX5 (0.65) ALOX5MAPTDHFRALDH1A1KDM4E
SCHEMBL14665143 0.91 ALOX5 (0.57) ALOX5MAPTDHFRALDH1A1KDM4E
SCHEMBL12364825 0.88 ALOX5 (0.55) ALOX5MAPTDHFRALDH1A1KDM4E
SCHEMBL25895033 0.88 ALOX5 (0.62) ALOX5MAPTDHFRALDH1A1KDM4E
SCHEMBL12223406 0.88 ALOX5 (0.57) ALOX5MAPTDHFRALDH1A1KDM4E
SCHEMBL29473526 0.88 ALOX5 (0.57) ALOX5MAPTDHFRALDH1A1KDM4E
SCHEMBL19608965 0.85 DHFR (0.57) ALOX5MAPTDHFRALDH1A1KDM4E
SCHEMBL1807916 0.85 ALOX5 (0.50) ALOX5MAPTDHFRALDH1A1KDM4E
SCHEMBL2048172 0.85 MAPT (0.58) ALOX5MAPTGAATDP1L3MBTL1
SCHEMBL8108637 0.84 ALOX5 (0.60) ALOX5MAPTDHFRALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192950-A1 THERMOPLASTIC RESIN AND OPTICAL MEMBER TEIJIN LIMITED (JP) 2023-06-22 US disclosed
US-20230192950-A1 THERMOPLASTIC RESIN AND OPTICAL MEMBER TEIJIN LIMITED (JP) 2023-06-22 US disclosed
US-20230051676-A1 POLYCARBONATE AND METHOD FOR PRODUCING POLYCARBONATE TEIJIN LIMITED (JP) 2023-02-16 US disclosed
US-20210371650-A1 POLY(ESTER)CARBONATE AND METHOD FOR PRODUCING POLY(ESTER)CARBONATE TEIJIN LIMITED (JP) 2021-12-02 US disclosed
US-8344080-B2 Catalyst for olefin polymerization and method of preparation thereof WANG LICAI (CN) 2013-01-01 US disclosed
US-20110301385-A1 CATALYST FOR OLEFIN POLYMERIZATION AND METHOD OF PREPARATION THEREOF WANG LICAI (CN) 2011-12-08 US disclosed
US-8003816-B2 Bisphosphite ligands for hydroformylation catalyzed by transition metals EVONIK OXENO GMBH (DE) 2011-08-23 US disclosed
US-7964678-B2 Comprises titanium/magnesium-1,4-diether [2,2'-dialkoxy-1,1'-biphenyl, 2,2'-dialkoxy-1,1'-binaphthalene, 10,10'-dialkoxy-9,9-biphenanthrene complex, organoaluminum compound, and organosilicon compound; molecular weight control WANG LICAI 2011-06-21 US disclosed
US-20110071321-A1 METHOD FOR SEPERATING 1-BUTENE FROM C4-CONTAINING HYDROCARBON STREAMS BY HYDROFORMYLATION EVONIK OXENO GMBH (DE) 2011-03-24 US disclosed
US-20100036143-A1 BISPHOSPHITE LIGANDS FOR HYDROFORMYLATION CATALYZED BY TRANSITION METALS EVONIK OXENO GMBH (DE) 2010-02-11 US disclosed
US-20080161513-A1 Catalyst for Olefin Polymerization and Preparation Thereof and Polymerization Process YINGKOU XIANGYANG CATALYST CO., LTD. (CN) 2008-07-03 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-20100036143-A1 BISPHOSPHITE LIGANDS FOR HYDROFORMYLATION CATALYZED BY TRANSITION METALS SLC9B2, CTR9, POF1B ALOX5 352/4885MAPT 4861/4885DHFR 1284/4885
US-20110071321-A1 METHOD FOR SEPERATING 1-BUTENE FROM C4-CONTAINING HYDROCARBON STREAMS BY HYDROFORMYLATION SLC9B2, INTS9, C9 ALOX5 673/4885MAPT 4837/4885DHFR 2101/4885
US-20110301385-A1 CATALYST FOR OLEFIN POLYMERIZATION AND METHOD OF PREPARATION THEREOF PPOX, CAT, POR ALOX5 18/4885MAPT 2740/4885DHFR 185/4885

“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.