SCHEMBL1800399

SCHEMBL1800399

O=C(CCCCCCO)Oc1ccccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.47
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPC1 O15118 1/20 0.44
RXRA P19793 2/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
BRD4 O60885 1/20 0.43
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43
ALPG P10696 1/20 0.43
PTK2B Q14289 1/20 0.43
SGMS2 Q8NHU3 2/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
ATM Q13315 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
SCHEMBL27605807 0.82 AKR1C3 (0.49) AKR1C3KDM4ETDP1NPC1RXRA
SCHEMBL7095353 0.79 ALDH1A1 (0.58) TDP1MEN1KMT2AEPHX2
SCHEMBL5793190 0.79 ALDH1A1 (0.58) TDP1MEN1KMT2AEPHX2
SCHEMBL15561335 0.79 ALDH1A1 (0.58) TDP1MEN1KMT2AEPHX2
SCHEMBL574387 0.79 ALDH1A1 (0.58) TDP1MEN1KMT2AEPHX2
SCHEMBL15561344 0.79 ALDH1A1 (0.58) TDP1MEN1KMT2AEPHX2
SCHEMBL6387083 0.79 ALDH1A1 (0.58) TDP1MEN1KMT2AEPHX2
SCHEMBL905734 0.79 ALDH1A1 (0.58) TDP1MEN1KMT2AEPHX2
SCHEMBL7096279 0.79 ALDH1A1 (0.58) TDP1MEN1KMT2AEPHX2
SCHEMBL2364491 0.79 ALDH1A1 (0.58) TDP1MEN1KMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410309-B2 Phenoxy carboxylic acid compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-04-02 US disclosed
US-7951971-B1 Phenoxy carboxylic acid compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2011-05-31 US disclosed
EP-1226104-B1 PHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2009-04-08 EP disclosed
US-20060264513-A1 PHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2006-11-23 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 (1 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-20060264513-A1 PHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS SLC46A1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS AKR1C3 1023/4885KDM4E 2884/4885TDP1 3517/4885

“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.