SCHEMBL21497827

SCHEMBL21497827

CCCCCCCC(C)NCC(=O)OCC1(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ZDHHC7 Q9NXF8 1/20 0.39
▸ ADH1B P00325 1/20 0.37
▸ ADH1C P00326 1/20 0.37
▸ ADH1A P07327 1/20 0.37
▸ ADH4 P08319 1/20 0.37
▸ ADH7 P40394 1/20 0.37
▸ FAAH O00519 5/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ MAPT P10636 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ PRKCA P17252 7/20 0.34
▸ LMNA P02545 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.33

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
SCHEMBL30797314 0.81 GAA (0.42) ZDHHC7ADH1BADH1CADH1AADH4
SCHEMBL27505908 0.77 BIRC2 (0.48) ZDHHC7ADH1BADH1CADH1AADH4
SCHEMBL9719704 0.72 FAAH (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL6670003 0.72 FAAH (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8689945 0.72 CA1 (0.44) ZDHHC7ADH1BADH1CADH1AADH4
SCHEMBL4532260 0.72 FAAH (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11371381 0.72 FAAH (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9719708 0.72 FAAH (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5595510 0.70 FAAH (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5595513 0.70 FAAH (0.47) ADH1BADH1CADH1AADH4ADH7

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-10450335-B2 Antiviral oxime phosphoramide compounds MERCK SHARP & DOHME CORP. (US) 2019-10-22 — — 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-10450335-B2 Antiviral oxime phosphoramide compounds TYMP, MTAP, POLR2E ZDHHC7 2650/4885ADH1B 713/4885ADH1C 2691/4885

“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.

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