SCHEMBL2140283

SCHEMBL2140283

Cc1cc(OCC(=O)O)c(C)c2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.73
GSTO1 P78417 2/20 0.60
PTPN1 P18031 1/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
PDE4A P27815 1/20 0.59
PDE3A Q14432 1/20 0.59
LMNA P02545 3/20 0.57
TTPA P49638 3/20 0.57
MAPT P10636 2/20 0.57
GSTP1 P09211 1/20 0.57
USP2 O75604 1/20 0.57
THRB P10828 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
NR1I2 O75469 4/20 0.53
ALOX5 P09917 2/20 0.53
AKT1 P31749 1/20 0.49

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
SCHEMBL705369 0.87 GSTO1 (0.76) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL708027 0.87 MEN1 (0.72) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL25118491 0.87 MEN1 (0.72) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL3241425 0.86 PSEN1 (0.72) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL25080534 0.85 AKT1 (0.65) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL628461 0.85 PSEN1 (1.00) PSEN1GSTO1PTPN1MEN1KMT2A
.Alpha.-Tocopheryloxyacetic Acid SCHEMBL2142535 0.85 PSEN1 (1.00) PSEN1GSTO1PTPN1MEN1KMT2A
.Alpha.-Tocopheryloxyacetic Acid SCHEMBL2142528 0.85 PSEN1 (1.00) PSEN1GSTO1PTPN1MEN1KMT2A
.Alpha.-Tocopheryloxyacetic Acid SCHEMBL10074169 0.85 PSEN1 (1.00) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL20917306 0.84 GSTO1 (0.73) PSEN1GSTO1PTPN1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664264-B2 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2014-03-04 US disclosed
US-8664264-B2 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2014-03-04 US disclosed
US-20120251616-A1 Tocopherols, Tocotrienols, Other Chroman and Side Chain Derivatives and Uses Thereof SANDERS BOB G (US) 2012-10-04 US disclosed
US-8148424-B2 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2012-04-03 US disclosed
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-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
US-7608638-B2 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2009-10-27 US 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
US-20080119514-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF SANDERS BOB G 2008-05-22 US disclosed
US-7312232-B2 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2007-12-25 US disclosed
US-7312232-B2 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2007-12-25 US 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

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-20100303899-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF TST, TXNRD3, TXNRD1 PSEN1 3935/4885GSTO1 40/4885PTPN1 2856/4885
US-20040235938-A1 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof TXN, TXN2, TTPA PSEN1 2534/4885GSTO1 8/4885PTPN1 2222/4885
US-20080161349-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF TST, TXNRD3, TXNRD1 PSEN1 3869/4885GSTO1 35/4885PTPN1 2806/4885
US-20080119514-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF TXN, TXN2, TTPA PSEN1 2772/4885GSTO1 13/4885PTPN1 2453/4885
US-20120251616-A1 Tocopherols, Tocotrienols, Other Chroman and Side Chain Derivatives and Uses Thereof TST, TXNRD3, TXNRD1 PSEN1 3935/4885GSTO1 40/4885PTPN1 2856/4885

“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.