SCHEMBL19993748

SCHEMBL19993748

CCCCCCCCOCC(C)(C)COC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.47
HTT P42858 2/20 0.41
THRB P10828 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
CES2 O00748 2/20 0.39
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.36
PLA2G2C Q5R387 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
TSHR P16473 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32
PRKCE Q02156 1/20 0.32

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
SCHEMBL22393553 1.00 CES1 (0.47) CES1HTTTHRBMEN1KMT2A
SCHEMBL25559577 0.92 TSHR (0.38) CES1HTTTHRBMEN1KMT2A
SCHEMBL2770729 0.89 CES1 (0.55) CES1HTTTHRBMEN1KMT2A
SCHEMBL5469348 0.89 CES1 (0.55) CES1HTTTHRBMEN1KMT2A
SCHEMBL5486080 0.89 CES1 (0.55) CES1HTTTHRBMEN1KMT2A
SCHEMBL5478904 0.89 CES1 (0.55) CES1HTTTHRBMEN1KMT2A
SCHEMBL30256962 0.87 CES1 (0.52) CES1HTTTHRBMEN1KMT2A
SCHEMBL7534346 0.83 CES1 (0.48) CES1HTTTHRBMEN1KMT2A
SCHEMBL19845102 0.80 TSHR (0.46) CES1HTTTHRBMEN1KMT2A
SCHEMBL20206422 0.79 HTT (0.52) CES1HTTTHRBMEN1KMT2A

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-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2018-03-22 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-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B CES1 1014/4885HTT 2145/4885THRB 4117/4885

“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.