SCHEMBL12444635

SCHEMBL12444635

CC(=O)NC(C)COCCOCC(C)OCC(C)N

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.39
MTNR1B P49286 6/20 0.39
TDP1 Q9NUW8 1/20 0.38
ACACB O00763 5/20 0.35
ACACA Q13085 1/20 0.35
PLA2G2C Q5R387 5/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
TLR2 O60603 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
SCHEMBL12861087 0.89 MTNR1A (0.44) MTNR1AMTNR1BACACBACACAPLA2G2C
SCHEMBL18211583 0.84 MTNR1A (0.39) MTNR1AMTNR1BTDP1ACACBACACA
SCHEMBL15856244 0.81 MTNR1A (0.46) MTNR1AMTNR1BACACBACACAPLA2G2C
SCHEMBL10027724 0.79 TDP1 (0.48) TDP1
SCHEMBL18211580 0.78 TDP1 (0.39) TDP1
SCHEMBL18866801 0.78 TDP1 (0.32) TDP1
SCHEMBL6124096 0.77 TDP1 (0.47) TDP1
SCHEMBL15905667 0.76 TDP1 (0.39) MTNR1AMTNR1BTDP1
SCHEMBL13091634 0.75 MTNR1A (0.53) MTNR1AMTNR1BACACBACACAPLA2G2C
SCHEMBL8404918 0.75 MTNR1A (0.44) MTNR1AMTNR1BACACBACACAPLA2G2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110177619-A1 IN VITRO DIAGNOSTIC MARKERS COMPRISING CARBON NANOPARTICLES AND KITS PITLAB LTD (GB) 2011-07-21 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-20110177619-A1 IN VITRO DIAGNOSTIC MARKERS COMPRISING CARBON NANOPARTICLES AND KITS CD63, LGALS3, MKI67 MTNR1A 3163/4885MTNR1B 3382/4885TDP1 3416/4885

“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.