SCHEMBL2143228

SCHEMBL2143228

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(C=O)O2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.43
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
ALOX5 P09917 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.34
PTPN1 P18031 1/20 0.34
HPD P32754 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL2141185 1.00 PSEN1 (0.43) PSEN1LMNAGAAALOX5MAPT
SCHEMBL9659347 0.88 PSEN1 (0.41) PSEN1LMNAGAAALOX5MAPT
SCHEMBL9659335 0.88 PSEN1 (0.41) PSEN1LMNAGAAALOX5MAPT
SCHEMBL9659584 0.88 PSEN1 (0.41) PSEN1LMNAGAAALOX5MAPT
SCHEMBL11601582 0.84 PSEN1 (0.42) PSEN1ALOX5MAPTTDP1PTPN1
SCHEMBL7969326 0.84 PSEN1 (0.42) PSEN1ALOX5MAPTTDP1PTPN1
SCHEMBL11601587 0.84 PSEN1 (0.42) PSEN1ALOX5MAPTTDP1PTPN1
SCHEMBL8308667 0.84 PSEN1 (0.45) PSEN1LMNAGAAMAPTMAPK1
SCHEMBL10752967 0.82 ALOX5 (0.46) PSEN1ALOX5PTPN1
SCHEMBL20503424 0.82 PSEN1 (0.43) PSEN1LMNAGAAMAPTMAPK1

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
US-8148424-B2 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2012-04-03 US disclosed
US-20100303899-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF SANDERS BOB G 2010-12-02 US disclosed
US-7718814-B2 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2010-05-18 US disclosed
EP-1115398-B1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RES DEV FOUNDATION (US) 2010-05-05 EP disclosed
US-7608638-B2 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2009-10-27 US disclosed
US-20080161349-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2008-07-03 US disclosed
EP-1254130-B1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RES DEV FOUNDATION (US) 2008-01-02 EP disclosed
US-7300954-B2 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2007-11-27 US disclosed
US-20040235938-A1 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION 2004-11-25 US disclosed
US-6770672-B1 ANTIPROLIFERATIVE, APOPTOTIC, IMMUNOMODULATING, VIRICIDAL, AND ANTICARCINOGENIC AGENTS RESEARCH DEVELOPMENT FOUNDATION 2004-08-03 US disclosed
US-4544758-A Vitamin E intermediates and methods for the preparation of (2R,4'RS,8'RS)-α-tocopherol and (all-rac)-α-tocopherol via the new intermediate products BASF AKTIENGESELLSCHAFT (DE) 1985-10-01 US disclosed
US-4515975-A Chroman derivatives and their preparation BASF AKTIENGESELLSCHAFT (DE) 1985-05-07 US disclosed
EP-0052731-B1 CHROMAN DERIVATIVES AND METHOD FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1985-04-17 EP disclosed
EP-0052731-A1 Chroman derivatives and method for their preparation BASF Aktiengesellschaft (DE) 1982-06-02 EP disclosed
US-4208331-A Synthesis of optically active vitamin E HOFFMANN-LA ROCHE INC. (US) 1980-06-17 US disclosed
US-4208332-A Synthesis of optically active vitamin E HOFFMANN-LA ROCHE INC. (US) 1980-06-17 US disclosed
US-4189612-A S-(+) 2,3,6-trimethyl-5-(2,2,4-trimethyl-1,3-dioxolane-4-ethyl)phenol HOFFMANN-LA ROCHE INC. (US) 1980-02-19 US disclosed
US-4182719-A Synthesis of optically active vitamin E HOFFMAN-LA ROCHE INC. (US) 1980-01-08 US disclosed
US-4151177-A Synthesis of optically active vitamin E HOFFMANN-LA ROCHE INC. (US) 1979-04-24 US disclosed
US-4113740-A Synthesis of optically active vitamin E HOFFMANN-LA ROCHE INC. (US) 1978-09-12 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-20100303899-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF TST, TXNRD3, TXNRD1 PSEN1 3935/4885LMNA 1979/4885GAA 3322/4885
US-20040235938-A1 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof TXN, TXN2, TTPA PSEN1 2534/4885LMNA 434/4885GAA 3330/4885
US-20080161349-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF TST, TXNRD3, TXNRD1 PSEN1 3869/4885LMNA 1969/4885GAA 3287/4885

“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.