SCHEMBL6811048

SCHEMBL6811048

CC(C)(C)OC(=O)NCCCCCCNCc1cc(C(=O)O)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
BRD4 O60885 1/20 0.44
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 2/20 0.39
POLB P06746 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL6810675 0.99 BRD4 (0.45) MAOAMAOBTDP1BRD4CA12
SCHEMBL6811830 0.92 BRD4 (0.40) MAOAMAOBTDP1BRD4CA12
SCHEMBL5972486 0.91 MAOA (0.46) MAOAMAOBTDP1BRD4CA12
SCHEMBL5972545 0.90 MAOA (0.44) MAOAMAOBTDP1BRD4CA12
SCHEMBL5972544 0.83 CA1 (0.40) MAOAMAOBTDP1BRD4CA12
SCHEMBL337290 0.83 IDO1 (0.39) TDP1BRD4GAABCHE
SCHEMBL6810672 0.81 SIGMAR1 (0.44) TDP1BRD4CA12CA1CA2
SCHEMBL7135619 0.79 EPHX2 (0.36) EPHX2NR1H4MEN1KMT2ABCHE
SCHEMBL15862351 0.77 EPHX2 (0.51) BRD4EPHX2NR1H4
SCHEMBL1495902 0.76 EPHX2 (0.64) BRD4EPHX2NR1H4

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-20040014964-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2004-01-22 US disclosed
US-6548663-B1 Imaging tumors and cancer with radioisotope benzodiazepine metal complex as contrast agent BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 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-20040014964-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 MAOA 3396/4885MAOB 2431/4885TDP1 4053/4885

“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.