SCHEMBL12876278

SCHEMBL12876278

CCOP(=O)(OCC)C(N(C)Cc1ccccc1)P(C)(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 2/20 0.45
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 2/20 0.40
ACHE P22303 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL5007472 0.92 ALDH1A1 (0.49) LMNAALDH1A1MAPTPOLBADRA2B
SCHEMBL12876279 0.83 ALDH1A1 (0.40) LMNAALDH1A1MAPTPOLBADRA2B
SCHEMBL1848683 0.81 POLB (0.50) LMNAALDH1A1MAPTPOLBKCNH2
SCHEMBL9232148 0.79 POLB (0.49) LMNAALDH1A1MAPTPOLBMEN1
SCHEMBL5363358 0.74 ALDH1A1 (0.46) LMNAALDH1A1MAPTPOLBADRA2B
SCHEMBL1197675 0.73 ALDH1A1 (0.44) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL15693584 0.72 LMNA (0.45) LMNAALDH1A1MAPTPOLBMEN1
SCHEMBL14064070 0.72 ALDH1A1 (0.41) LMNAALDH1A1MAPTPOLBMEN1
SCHEMBL12876205 0.72 POLB (0.50) LMNAALDH1A1MAPTPOLBKCNH2
SCHEMBL8624176 0.70 SIGMAR1 (0.47) LMNAALDH1A1MAPTPOLBOPRK1

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-20110034714-A1 METAL COMPLEX COMPOUND, CANCER THERAPEUTIC AGENT COMPOSITION CONTAINING THE METAL COMPLEX COMPOUND AS AN ACTIVE INGREDIENT, AND INTERMEDIATE FOR THE METAL COMPLEX COMPOUND EKIMOTO HISAO 2011-02-10 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-20110034714-A1 METAL COMPLEX COMPOUND, CANCER THERAPEUTIC AGENT COMPOSITION CONTAINING THE METAL COMPLEX COMPOUND AS AN ACTIVE INGREDIENT, AND INTERMEDIATE FOR THE METAL COMPLEX COMPOUND NR3C2, NR3C1, MC5R LMNA 2927/4885ALDH1A1 3620/4885MAPT 3122/4885

“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.