SCHEMBL4292022

SCHEMBL4292022

COC(CCOC=O)(OC)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.38
CES1 P23141 1/20 0.35
MAPK1 P28482 1/20 0.31
KIF11 P52732 3/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
CYP2C19 P33261 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
AKT1 P31749 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 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
SCHEMBL10884521 0.80 KCNN4 (0.39) KCNN4CES1MAPK1KIF11KCNH2
SCHEMBL27360229 0.79 KCNN4 (0.40) KCNN4CES1MAPK1KIF11KCNH2
SCHEMBL10881157 0.76 KCNN4 (0.39) KCNN4CES1MAPK1KIF11KCNH2
SCHEMBL28022253 0.74 KCNN4 (0.42) KCNN4CES1MAPK1KDM4EALDH1A1
SCHEMBL9187550 0.74 KCNN4 (0.41) KCNN4CES1MAPK1KIF11KCNH2
Ammonia Solution, Strong SCHEMBL9395552 0.72 KDM4E (0.32) CES1MAPK1KIF11KCNH2KDM4E
SCHEMBL5640704 0.72 KCNN4 (0.39) KCNN4CES1MAPK1KIF11KCNH2
SCHEMBL11808675 0.72 KIF11 (0.46) KCNN4KIF11KCNH2CYP2C19SMN1; SMN2
SCHEMBL15063659 0.72 KCNN4 (0.44) KCNN4CES1MAPK1KIF11KCNH2
SCHEMBL13931399 0.71 KCNN4 (0.48) KCNN4CES1MAPK1KIF11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410048-B2 Method for producing insulin analogs having a dibasic B chain terminus SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-04-02 US disclosed
US-20090192073-A1 METHOD FOR PRODUCING INSULIN ANALOGS HAVING A DIBASIC B CHAIN TERMINUS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-07-30 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-20090192073-A1 METHOD FOR PRODUCING INSULIN ANALOGS HAVING A DIBASIC B CHAIN TERMINUS IAPP, IDE, INSR KCNN4 1560/4885CES1 223/4885MAPK1 3713/4885

“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.