SCHEMBL12876347

SCHEMBL12876347

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
ACHE P22303 1/20 0.41
CETP P11597 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
NR1I2 O75469 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL12876348 0.79 AOX1 (0.47) LMNATSHRALDH1A1POLBACHE
SCHEMBL14900666 0.78 TSHR (0.54) TSHRALDH1A1POLBCETPNPSR1
SCHEMBL3081926 0.74 TSHR (0.58) TSHRALDH1A1POLBCETPNPC1
SCHEMBL1197675 0.72 ALDH1A1 (0.44) LMNATSHRALDH1A1POLBACHE
SCHEMBL3057109 0.72 HPGD (0.48) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL915800 0.71 TSHR (0.52) TSHRPOLBACHECETPNPSR1
SCHEMBL12876279 0.71 ALDH1A1 (0.40) LMNATSHRALDH1A1POLBNPC1
SCHEMBL12876302 0.70 ALDH1A1 (0.43) LMNATSHRALDH1A1POLBNPC1
SCHEMBL9232148 0.70 POLB (0.49) LMNATSHRALDH1A1POLBNPC1
SCHEMBL12876278 0.70 LMNA (0.46) LMNATSHRALDH1A1POLBACHE

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 2927/4885TSHR 1365/4885ALDH1A1 3620/4885

“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.