SCHEMBL628461

SCHEMBL628461

Cc1c(C)c2c(c(C)c1OCC(=O)O)CCC(C)(CCCC(C)CCCC(C)C)O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 1.00
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
PDE4A P27815 1/20 0.75
PDE3A Q14432 1/20 0.75
GSTO1 P78417 2/20 0.75
PTPN1 P18031 1/20 0.75
TTPA P49638 3/20 0.67
MAPT P10636 2/20 0.67
LMNA P02545 2/20 0.67
GSTP1 P09211 1/20 0.67
USP2 O75604 1/20 0.67
THRB P10828 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
NR1I2 O75469 3/20 0.62
ALOX5 P09917 1/20 0.62
PGR P06401 1/20 0.52

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
.Alpha.-Tocopheryloxyacetic Acid SCHEMBL2142528 1.00 PSEN1 (1.00) PSEN1MEN1KMT2APDE4APDE3A
.Alpha.-Tocopheryloxyacetic Acid SCHEMBL10074169 1.00 PSEN1 (1.00) PSEN1MEN1KMT2APDE4APDE3A
.Alpha.-Tocopheryloxyacetic Acid SCHEMBL2142535 1.00 PSEN1 (1.00) PSEN1MEN1KMT2APDE4APDE3A
.Alpha.-Tocopheryloxyacetic Acid SCHEMBL20543237 0.99 PSEN1 (0.98) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL20107221 0.97 PSEN1 (0.94) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL14393422 0.96 PSEN1 (0.93) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL17586431 0.92 PSEN1 (0.85) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL12960618 0.92 PSEN1 (0.85) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL12669465 0.92 PSEN1 (0.85) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL20126930 0.92 PSEN1 (0.85) PSEN1MEN1KMT2APDE4APDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273871-A1 ANTICANCER TOCOPHERYL SUCCINATE DERIVATIVES THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-10-28 US claimed
EP-2418948-B1 ANTIADHESION AGENTS UNIV OHIO STATE RES FOUND (US) 2013-09-04 EP disclosed
US-8461362-B2 Protein phosphatase 2A-activating agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-06-11 US disclosed
US-8461362-B2 Protein phosphatase 2A-activating agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-06-11 US disclosed
US-8362071-B2 Antiadhesion agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-01-29 US disclosed
US-8362071-B2 Antiadhesion agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-01-29 US disclosed
EP-2418948-A1 ANTIADHESION AGENTS The Ohio State University Research Foundation (US) 2012-02-22 EP disclosed
EP-2419414-A1 PROTEIN PHOSPHATASE 2A-ACTIVATING AGENTS The Ohio State University Research Foundation (US) 2012-02-22 EP disclosed
WO-2010121111-A9 ANTIADHESION AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-12-22 WO disclosed
US-20100267820-A1 ANTIADHESION AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-10-21 US disclosed
US-20100267820-A1 ANTIADHESION AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-10-21 US disclosed
US-20100267673-A1 PROTEIN PHOSPHATASE 2A-ACTIVATING AGENTS THE OHIO SATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-10-21 US disclosed
US-20100267673-A1 PROTEIN PHOSPHATASE 2A-ACTIVATING AGENTS THE OHIO SATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-10-21 US disclosed
WO-2010121111-A1 ANTIADHESION AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-10-21 WO disclosed
WO-2010120711-A1 PROTEIN PHOSPHATASE 2A-ACTIVATING AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-10-21 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-20100273871-A1 ANTICANCER TOCOPHERYL SUCCINATE DERIVATIVES SDHA, SDHB, SUCNR1 PSEN1 1751/4885MEN1 2933/4885KMT2A 2590/4885
US-20100267673-A1 PROTEIN PHOSPHATASE 2A-ACTIVATING AGENTS PPP2CA, PPP2R2A, PPP2R1A PSEN1 1965/4885MEN1 4219/4885KMT2A 1918/4885
US-20100267820-A1 ANTIADHESION AGENTS SELE, EPCAM, SELP PSEN1 3830/4885MEN1 1770/4885KMT2A 4399/4885

“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.