SCHEMBL2597029

SCHEMBL2597029

Cc1c(C)c2c(c(C)c1O)CC(C)[C@@](C)(C(=O)O)O2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
ALOX5 P09917 6/20 0.39
NR1I2 O75469 2/20 0.37
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
GSTP1 P09211 1/20 0.33
TTPA P49638 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ACHE P22303 4/20 0.33
BCHE P06276 3/20 0.33
MAOB P27338 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
SCHEMBL2140315 1.00 PTGS1 (0.54) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL23618137 0.85 PTGS1 (0.54) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL28450601 0.84 PTGS1 (0.52) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL11705076 0.74 ALOX5 (0.40) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5798908 0.72 PTGS1 (0.41) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL3657430 0.72 PTGS1 (0.43) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL23618121 0.72 PTGS1 (0.72) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8311353 0.72 PTGS1 (0.72) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL23618111 0.72 PTGS1 (0.72) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4278705 0.71 PTGS1 (0.48) PTGS1PTGS2CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9220787-B2 Vitamin E conjugates, and their uses as antioxidants and prodrug delivery vehicles BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2015-12-29 US disclosed
US-20130210702-A1 Vitamin E Conjugates, and Their Uses as Antioxidants and Prodrug Delivery Vehicles BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2013-08-15 US disclosed
EP-2088144-B1 METHOD OF PRODUCING S-(-)-6-HYDROXY-2,5,7,8-TETRAMETHYLCHROMANE-2-CARBOXYLIC ACID MITSUBISHI GAS CHEMICAL CO (JP) 2011-12-28 EP disclosed
US-8080676-B2 Method of producing S-(−)-6-hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid and product obtained by the method MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-12-20 US disclosed
WO-2011146589-A2 VITAMIN E CONJUGATES, AND THEIR USES AS ANTIOXIDANTS AND PRODRUG DELIVERY VEHICLES BOARD OF SUPERVISORS OF LOUSIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2011-11-24 WO disclosed
US-7718814-B2 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2010-05-18 US disclosed
US-20100063305-A1 METHOD OF PRODUCING S-(-)-6-HYDROXY-2,5,7,8-TETRAMETHYLCHROMANE-2-CARBOXYLIC ACID AND PRODUCT OBTAINED BY THE METHOD Mitsubishi Gas Chemcial (JP) 2010-03-11 US disclosed
EP-2088144-A1 METHOD OF PRODUCING S-(-)-6-HYDROXY-2,5,7,8-TETRAMETHYLCHROMANE-2-CARBOXYLIC ACID AND PRODUCT OBTAINED BY THE METHOD Mitsubishi Gas Chemical Company, Inc. (JP) 2009-08-12 EP disclosed
US-20080161349-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 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-20100063305-A1 METHOD OF PRODUCING S-(-)-6-HYDROXY-2,5,7,8-TETRAMETHYLCHROMANE-2-CARBOXYLIC ACID AND PRODUCT OBTAINED BY THE METHOD HAO2, CYP7A1, CYP8B1 PTGS1 780/4885PTGS2 653/4885CYP1A2 26/4885
US-20130210702-A1 Vitamin E Conjugates, and Their Uses as Antioxidants and Prodrug Delivery Vehicles TTPA, VSIR, FOLR1 PTGS1 1930/4885PTGS2 2571/4885CYP1A2 2410/4885
US-20080161349-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF TST, TXNRD3, TXNRD1 PTGS1 367/4885PTGS2 615/4885CYP1A2 1344/4885

“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.