SCHEMBL6729185

SCHEMBL6729185

CCOC(=O)c1cn2c3c(cc(I)cc3c1=O)CC2COC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
STAT3 P40763 2/20 0.38
KDM4E B2RXH2 4/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 3/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
POLB P06746 1/20 0.33
GAPDH P04406 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 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
SCHEMBL4131419 0.78 KDM4E (0.54) ADRB2STAT3KDM4EHPGDALDH1A1
SCHEMBL4180317 0.78 ADRB2 (0.40) ADRB2STAT3KDM4EHPGDALDH1A1
SCHEMBL10917652 0.74 STAT3 (0.48) ADRB2STAT3KDM4EHPGDALDH1A1
SCHEMBL4270348 0.74 CNR1 (0.56) ADRB2STAT3KDM4EHPGDALDH1A1
SCHEMBL6079370 0.74 CNR1 (0.56) ADRB2STAT3KDM4EHPGDALDH1A1
SCHEMBL4126212 0.73 KDM4E (0.41) ADRB2STAT3KDM4EHPGDALDH1A1
SCHEMBL3810010 0.72 KMT2A (0.44) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL4186572 0.71 STAT3 (0.39) ADRB2STAT3KDM4EHPGDALDH1A1
SCHEMBL4186260 0.71 KDM4E (0.41) ADRB2STAT3KDM4EHPGDALDH1A1
SCHEMBL17709336 0.70 ACHE (0.40) KDM4EHPGDALDH1A1HSD17B10KMT2A

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-20040029879-A1 Heterocycle carboxamides as antiviral agents ANDERSON DAVID JOHN (US) 2004-02-12 US disclosed
US-6624159-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-09-23 US disclosed
US-20020025959-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 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 (2 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-20040029879-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 ADRB2 4791/4885STAT3 3705/4885KDM4E 201/4885
US-20020025959-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 ADRB2 4791/4885STAT3 3705/4885KDM4E 201/4885

“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.