SCHEMBL4779353

SCHEMBL4779353

CCOC(=O)CC(=O)COC1CCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
KMT2A Q03164 2/20 0.42
EPHX1 P07099 1/20 0.41
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAAA Q02083 2/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 2/20 0.36
CYP2D6 P10635 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6110390 1.00 MGAM (0.45) MGAMGAASIMGAM2KMT2A
SCHEMBL7903603 0.98 MGAM (0.47) MGAMGAASIMGAM2KMT2A
Cyclohexanol SCHEMBL4410504 0.94 MGAM (0.40) MGAMGAASIMGAM2KMT2A
SCHEMBL31206650 0.93 GAA (0.52) MGAMGAASIMGAM2KMT2A
SCHEMBL19569796 0.86 KMT2A (0.50) MGAMGAASIMGAM2KMT2A
SCHEMBL3256401 0.86 KMT2A (0.50) MGAMGAASIMGAM2KMT2A
SCHEMBL3252087 0.86 KMT2A (0.50) MGAMGAASIMGAM2KMT2A
SCHEMBL3251414 0.86 KMT2A (0.50) MGAMGAASIMGAM2KMT2A
SCHEMBL5672230 0.84 EPHX2 (0.42) MGAMGAASIMGAM2EPHX1
SCHEMBL3248382 0.84 KMT2A (0.51) MGAMGAASIMGAM2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed
US-7105558-B2 Gastrin and cholecystokinin receptor lignads (iv) THE JAMES BLACK FOUNDATION LIMITED (GB) 2006-09-12 US disclosed
US-20030195237-A1 Gastrin and cholecystokinin receptor lignads (iv) JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-16 US disclosed
WO-2001085704-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (IV) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 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-20030195237-A1 Gastrin and cholecystokinin receptor lignads (iv) CCKAR, CCKBR, GRPR MGAM 4260/4885GAA 4667/4885SI 991/4885

“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.