SCHEMBL12989790

SCHEMBL12989790

CCOCCOCCOCCOCCNC(=O)CSC[C@H](NC)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TLR2 O60603 6/20 0.32
▸ EPHX2 P34913 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ ADRB2 P07550 2/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL18120321 0.88 TLR2 (0.45) TLR2EPHX2
SCHEMBL16476478 0.84 MEN1 (0.40) MEN1KMT2ATLR2EPHX2POLB
SCHEMBL25664937 0.78 ADRB2 (0.37) MEN1KMT2ATLR2POLBADRB2
SCHEMBL14685800 0.75 GLP1R (0.46) EPHX2TSHRALDH1A1
SCHEMBL26346649 0.75 MEN1 (0.31) MEN1KMT2ATLR2
SCHEMBL18313748 0.74 MEN1 (0.49) MEN1KMT2ATLR2POLBADRB2
SCHEMBL24602601 0.73 MEN1 (0.41) MEN1KMT2ATLR2POLBADRB2
SCHEMBL16062708 0.73 GLP1R (0.47) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL15697747 0.73 MEN1 (0.42) MEN1KMT2AEPHX2POLBTSHR
SCHEMBL24602591 0.72 MEN1 (0.44) MEN1KMT2ATLR2POLBADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629101-B2 Cholesterol derivatives of inhibitors of viral fusion ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2014-01-14 — — US disclosed
US-20100305028-A1 CHOLESTEROL DERIVATIVES OF INHIBITORS OF VIRAL FUSION MSD ITALIA S.R.L. (IT) 2010-12-02 — — US disclosed
US-20100305028-A1 CHOLESTEROL DERIVATIVES OF INHIBITORS OF VIRAL FUSION MSD ITALIA S.R.L. (IT) 2010-12-02 — — 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-20100305028-A1 CHOLESTEROL DERIVATIVES OF INHIBITORS OF VIRAL FUSION HDLBP, CETP, NPC1 MEN1 2542/4885KMT2A 2568/4885TLR2 2129/4885

“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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