SCHEMBL6794898

SCHEMBL6794898

COCC1COc2ccc(CC(=O)Cc3ccc4c(c3)OC(COC)CO4)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
ALDH1A1 P00352 3/20 0.44
FFAR1 O14842 3/20 0.43
HSD17B10 Q99714 1/20 0.42
AIMP2 Q13155 2/20 0.42
GSK3A P49840 3/20 0.41
GSK3B P49841 3/20 0.41
AURKA O14965 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL6800337 0.80 ALDH1A1 (0.49) MTNR1AALDH1A1FFAR1CYP2C9MAPK1
SCHEMBL6794906 0.80 MTNR1A (0.49) MTNR1AALDH1A1FFAR1MEN1KMT2A
SCHEMBL30640308 0.80 ALDH1A1 (0.49) MTNR1AALDH1A1FFAR1CYP2C9MAPK1
SCHEMBL30640313 0.80 ALDH1A1 (0.49) MTNR1AALDH1A1FFAR1CYP2C9MAPK1
SCHEMBL24735866 0.79 MTNR1A (0.51) MTNR1AALDH1A1FFAR1HSD17B10MEN1
SCHEMBL30278166 0.79 MTNR1A (0.51) MTNR1AALDH1A1FFAR1HSD17B10MEN1
SCHEMBL10388277 0.78 MTNR1A (0.47) MTNR1AALDH1A1AIMP2CYP1A2CYP3A4
SCHEMBL8259889 0.77 CA2 (0.56) MTNR1AFFAR1GSK3AGSK3BAURKA
SCHEMBL5937114 0.76 CHRNB4 (0.46) MTNR1AFFAR1GSK3AGSK3BAURKA
SCHEMBL13450820 0.76 FFAR1 (0.50) MTNR1AALDH1A1FFAR1GSK3AGSK3B

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-6835735-B2 Anticancer, tyrosine kinase inhibitors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-12-28 US disclosed
US-20030045537-A1 4-(Phenylamino)-[1,4]dioxano[2,3-g]quinazoline derivatives and process for preparing the same KOREAN INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-03-06 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-20030045537-A1 4-(Phenylamino)-[1,4]dioxano[2,3-g]quinazoline derivatives and process for preparing the same EGFR, ERBB2, ERBB4 MTNR1A 2854/4885ALDH1A1 2951/4885FFAR1 2281/4885

“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.