SCHEMBL806095

SCHEMBL806095

C=CCCC(C(=O)OC(C)(C)C)C(=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
NOS1 P29475 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
LMNA P02545 2/20 0.31
USP2 O75604 2/20 0.31
CYP3A4 P08684 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RECQL P46063 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ALDH1A1 P00352 2/20 0.31
FAAH O00519 2/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
PDF Q9HBH1 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
SCHEMBL10089110 0.91 USP2 (0.35) TSHRNOS1NOS3NOS2LMNA
SCHEMBL11066540 0.88 LMNA (0.35) TSHRNOS1NOS3NOS2LMNA
SCHEMBL10965572 0.85 MEN1 (0.37) TSHRNOS1NOS3NOS2LMNA
SCHEMBL2332499 0.82 LMNA (0.39) LMNAUSP2CYP3A4MAPTSMN1; SMN2
SCHEMBL2332493 0.82 LMNA (0.39) LMNAUSP2CYP3A4MAPTSMN1; SMN2
SCHEMBL29059466 0.80 TSHR (0.37) TSHRNOS1NOS3NOS2LMNA
SCHEMBL16421121 0.75 MAPT (0.47) TSHRLMNAUSP2CYP3A4MAPT
SCHEMBL16418495 0.75 MAPT (0.47) TSHRLMNAUSP2CYP3A4MAPT
SCHEMBL10166818 0.75 LTA4H (0.36) TSHRNOS1NOS3NOS2LMNA
SCHEMBL27537985 0.75 SMN1; SMN2 (0.36) TSHRNOS1NOS3NOS2LMNA

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-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
WO-2012037259-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-22 WO 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-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HDGF TSHR 4726/4885NOS1 2417/4885NOS3 2552/4885

“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.