SCHEMBL17039731

SCHEMBL17039731

CCCCCCSC(=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
CES2 O00748 6/20 0.45
GMNN O75496 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
CYP2C9 P11712 1/20 0.45
BLM P54132 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ZDHHC7 Q9NXF8 1/20 0.42
ACHE P22303 3/20 0.42
CES1 P23141 7/20 0.40
FAAH O00519 5/20 0.40
PLA2G6 O60733 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
ACE2 Q9BYF1 1/20 0.38

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
SCHEMBL31026389 1.00 EPHX1 (0.50) EPHX1CES2GMNNTP53POLB
SCHEMBL10923079 1.00 EPHX1 (0.50) EPHX1CES2GMNNTP53POLB
SCHEMBL15615685 0.98 EPHX1 (0.47) EPHX1CES2GMNNTP53POLB
SCHEMBL11413197 0.85 EPHX1 (0.48) EPHX1CES2GMNNTP53POLB
SCHEMBL28827614 0.82 CA1 (0.52) EPHX1CES2GMNNTP53POLB
SCHEMBL6624332 0.80 SMN1; SMN2 (0.39) EPHX1
Ethane SCHEMBL20897133 0.80 EPHX1 (0.41) EPHX1CES2GMNNTP53POLB
SCHEMBL22951384 0.79 CA1 (0.44) EPHX1CES2GMNNTP53POLB
SCHEMBL22616344 0.78
SCHEMBL22952852 0.78 EPHX1 (0.41) EPHX1CES2GMNNTP53POLB

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-20150238516-A1 POLYNUCLEOTIDES HAVING BIOREVERSIBLE GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-08-27 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-20150238516-A1 POLYNUCLEOTIDES HAVING BIOREVERSIBLE GROUPS RNASE1, NCL, LNPEP EPHX1 4072/4885CES2 1001/4885GMNN 638/4885

“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.