SCHEMBL2140309

SCHEMBL2140309

COC(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.72
PTGS2 P35354 1/20 0.72
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
TSHR P16473 1/20 0.72
CAPN1 P07384 1/20 0.45
BCHE P06276 4/20 0.45
ACHE P22303 4/20 0.45
PSEN1 P49768 6/20 0.45
TTPA P49638 3/20 0.44
NR1I2 O75469 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL633931 1.00 PTGS1 (0.72) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL29670772 1.00 PTGS1 (0.72) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL6362676 1.00 PTGS1 (0.72) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL22899966 0.90 PTGS1 (0.70) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL15851247 0.90 PTGS1 (0.56) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL31326006 0.87 PTGS1 (0.65) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL30951067 0.86 PTGS1 (0.68) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2393197 0.86 PTGS1 (0.68) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL21344343 0.86 PTGS1 (0.52) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL7895023 0.86 PTGS1 (0.91) 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 US disclosed
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-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-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
EP-2351729-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ORGANIC CARBOXYLIC ACID MITSUBISHI GAS CHEMICAL CO (JP) 2014-01-22 EP disclosed
EP-2418948-B1 ANTIADHESION AGENTS UNIV OHIO STATE RES FOUND (US) 2013-09-04 EP 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
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
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
US-20080009545-A1 Anticancer agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-01-10 US disclosed
US-4788214-A ANTIALLERGENS HOFFMAN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4785017-A ANTIALLERGENS HOFFMANN-LA ROCHE INC. (US) 1988-11-15 US disclosed
EP-0003221-B1 PROCESS FOR THE MANUFACTURE OF 3,4-DIHYDRO-BENZOPYRAN DERIVATIVES AND STARTING MATERIALS IN THIS PROCESS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-04-21 EP disclosed
US-4205001-A Inversion process HOFFMANN-LA ROCHE INC. (US) 1980-05-27 US disclosed
EP-0003221-A2 Process for the manufacture of 3,4-dihydro-benzopyran derivatives and starting materials in this process F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-08-08 EP disclosed
US-4150050-A 3,6-Dioxo-1,4-cyclohexadien-1-yl-butandate esters HOFFMANN-LA ROCHE INC. (US) 1979-04-17 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 (5 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-20080009545-A1 Anticancer agents SUCNR1, CPS1, HIF1AN PTGS1 760/4885PTGS2 1541/4885CYP1A2 512/4885
US-20080161349-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF TST, TXNRD3, TXNRD1 PTGS1 367/4885PTGS2 615/4885CYP1A2 1344/4885
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 PTGS1 959/4885PTGS2 528/4885CYP1A2 2743/4885

“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.