SCHEMBL6729783

SCHEMBL6729783

CC(CC(O)c1ccccc1)N(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 6/20 0.53
LMNA P02545 1/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 1/20 0.44
RIPK1 Q13546 1/20 0.44
GRIN1 Q05586 6/20 0.44
GRIN2A Q12879 6/20 0.44
GRIN2D O15399 5/20 0.44
GRIN2C Q14957 5/20 0.44
GRIN2B Q13224 4/20 0.44
OPRM1 P35372 2/20 0.42
CACNA1F O60840 1/20 0.42
ABCB1 P08183 1/20 0.42
CYP2B6 P20813 1/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL3254505 0.82 AOC3 (0.55) AOC3LMNAKDM4EALDH1A1L3MBTL1
Trimethyldiphenylpropylamine SCHEMBL25589 0.81 HRH1 (0.52) AOC3KDM4EALDH1A1MEN1MAPT
SCHEMBL13619949 0.79 LMNA (0.60) AOC3LMNAKDM4EALDH1A1L3MBTL1
SCHEMBL13433805 0.79 LMNA (0.60) AOC3LMNAKDM4EALDH1A1L3MBTL1
SCHEMBL8425086 0.79 LMNA (0.60) AOC3LMNAKDM4EALDH1A1L3MBTL1
SCHEMBL75953 0.79 LMNA (0.60) AOC3LMNAKDM4EALDH1A1L3MBTL1
SCHEMBL3097213 0.79 LMNA (0.60) AOC3LMNAKDM4EALDH1A1L3MBTL1
SCHEMBL477671 0.79 LMNA (0.60) AOC3LMNAKDM4EALDH1A1L3MBTL1
SCHEMBL13433806 0.79 LMNA (0.60) AOC3LMNAKDM4EALDH1A1L3MBTL1
SCHEMBL11238622 0.78 LMNA (0.46) AOC3LMNAKDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604363-B1 Stable solutions of accelerators for epoxy resins VANTICO AG (CH) 2003-02-12 EP claimed
EP-0604363-A2 Stable solutions of accelerators for epoxy resins CIBA-GEIGY AG (CH) 1994-06-29 EP claimed
US-20040266882-A1 Aryloxypropylamines as chemosensitizing agents in the treatment of cancer RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2004-12-30 US disclosed
US-20040054014-A1 Method and pharmaceutical compositions forthe treatment of cancer RAMOT AT TEL AVIV UNIVERSITY LTD. 2004-03-18 US disclosed
US-6630454-B2 Method and pharmaceutical composition for the treatment of cancer RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2003-10-07 US disclosed
US-20030087964-A1 Method and pharmaceutical composition for the treatment of cancer RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH AND INDUSTRIAL DEVELOPMENT LTD. 2003-05-08 US disclosed
EP-0604363-B1 Stable solutions of accelerators for epoxy resins VANTICO AG (CH) 2003-02-12 EP disclosed
EP-0604363-A2 Stable solutions of accelerators for epoxy resins CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
US-4626549-A Treatment of obesity with aryloxyphenylpropylamines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4314081-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1982-02-02 US disclosed
US-4194009-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1980-03-18 US disclosed
US-4018895-A Aryloxyphenylpropylamines in treating depression ELI LILLY AND COMPANY (US) 1977-04-19 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-20040054014-A1 Method and pharmaceutical compositions forthe treatment of cancer ABCC1, ABCB1, SLC11A2 AOC3 1273/4885LMNA 2026/4885KDM4E 599/4885
US-20030087964-A1 Method and pharmaceutical composition for the treatment of cancer PNMT, ABCC1, HNMT AOC3 571/4885LMNA 3185/4885KDM4E 2664/4885
US-20040266882-A1 Aryloxypropylamines as chemosensitizing agents in the treatment of cancer ABCC1, PNMT, ABCB1 AOC3 404/4885LMNA 3075/4885KDM4E 1474/4885

“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.