SCHEMBL14044907

SCHEMBL14044907

CCCCOC[C@@H](C(=O)N(C)OC)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPOR P19235 5/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 2/20 0.36
CYP2D6 P10635 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL841619 0.85 EPOR (0.45) EPORMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL14019315 0.85 EPOR (0.45) EPORKMT2AALDH1A1HPGD
SCHEMBL841620 0.85 EPOR (0.45) EPORMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL842052 0.82 EPOR (0.41) EPORMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL842051 0.82 EPOR (0.41) EPORMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL841890 0.82 HPGD (0.43) EPORMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL841889 0.82 HPGD (0.43) EPORMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9329177 0.79 HPGD (0.50) EPORALDH1A1MAPK1HPGDACHE
SCHEMBL14044904 0.75 EPOR (0.38) EPORMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL842696 0.75 ATM (0.46) EPORMEN1KMT2AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261923-A1 Alkene Mimics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-10-23 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-20080261923-A1 Alkene Mimics PHOSPHO1, PARN, CHAMP1 EPOR 3209/4885MEN1 704/4885KMT2A 1204/4885

“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.