SCHEMBL3243733

SCHEMBL3243733

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

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.70
GSTO1 P78417 2/20 0.51
PTPN1 P18031 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PDE4A P27815 1/20 0.50
PDE3A Q14432 1/20 0.50
ALOX5 P09917 2/20 0.46
NR1I2 O75469 1/20 0.46
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
GSTP1 P09211 1/20 0.43
TTPA P49638 1/20 0.43

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
SCHEMBL3243972 1.00 PSEN1 (0.70) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL627629 1.00 PSEN1 (0.70) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL13086409 1.00 PSEN1 (0.70) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL10074174 1.00 PSEN1 (0.70) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL627615 0.89 PSEN1 (0.64) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL14393313 0.88 PSEN1 (0.85) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL20107222 0.88 PSEN1 (0.85) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL627937 0.88 PSEN1 (0.66) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL14335452 0.88 PSEN1 (0.85) PSEN1GSTO1PTPN1MEN1KMT2A
SCHEMBL13084628 0.87 PSEN1 (0.67) 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235938-A1 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION 2004-11-25 US claimed
EP-1254130-A4 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RES DEV FOUNDATION (US) 2003-04-23 EP claimed
EP-1254130-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2002-11-06 EP claimed
EP-1115398-A4 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RES DEV FOUNDATION (US) 2002-10-16 EP claimed
WO-2001058889-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2001-08-16 WO claimed
EP-1115398-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2001-07-18 EP claimed
WO-2000016772-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2000-03-30 WO claimed
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-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-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
EP-1115398-A4 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RES DEV FOUNDATION (US) 2002-10-16 EP disclosed
US-20020107207-A1 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION 2002-08-08 US disclosed
EP-1115398-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2001-07-18 EP disclosed
WO-2000016772-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2000-03-30 WO 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-20040235938-A1 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof TXN, TXN2, TTPA PSEN1 2534/4885GSTO1 8/4885PTPN1 2222/4885
US-20020107207-A1 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof TST, HCCS, TXNRD3 PSEN1 3859/4885GSTO1 20/4885PTPN1 2209/4885
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.