SCHEMBL19397154

SCHEMBL19397154

CO[n+]1ccccc1OC(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
ALDH1A3 P47895 1/20 0.31
PDK2 Q15119 1/20 0.30

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
SCHEMBL2327341 0.81 CA1 (0.38) KMT2A
SCHEMBL24943593 0.75 HDAC8 (0.41) KMT2AIRAK4
SCHEMBL21494398 0.73 KMT2A (0.41) KMT2AIRAK4
SCHEMBL25803276 0.73 IRAK4 (0.32) IRAK4
SCHEMBL14319636 0.72 CYP1A2 (0.32)
SCHEMBL13493125 0.70
SCHEMBL2325405 0.67
SCHEMBL27018358 0.66 IRAK4 (0.30) IRAK4
SCHEMBL2329551 0.66
Bromide SCHEMBL9622942 0.66 NPC1 (0.42) KMT2A

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-20170275327-A1 SUBSTITUTED PHOSPHORAMIDATE COMPOUNDS AND USES THEREOF MERCK SHARP & DOHME LLC 2017-09-28 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-20170275327-A1 SUBSTITUTED PHOSPHORAMIDATE COMPOUNDS AND USES THEREOF ADH1A, ADH1C, ADH5 KMT2A 2479/4885IRAK4 3743/4885ALDH1A3 137/4885

“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.