SCHEMBL12876302

SCHEMBL12876302

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 5/20 0.40
POLB P06746 2/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
LAP3 P28838 1/20 0.38
FDPS P14324 1/20 0.38
OPRD1 P41143 1/20 0.37

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
SCHEMBL1197675 0.87 ALDH1A1 (0.44) ALDH1A1LMNAPOLBNPC1RAB9A
SCHEMBL12876279 0.85 ALDH1A1 (0.40) ALDH1A1LMNAPOLBNPC1RAB9A
SCHEMBL9232148 0.79 POLB (0.49) ALDH1A1LMNAPOLBNPC1RAB9A
SCHEMBL1848683 0.75 POLB (0.50) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL12876206 0.73 LAP3 (0.49) POLBTSHRLAP3
SCHEMBL12876278 0.70 LMNA (0.46) ALDH1A1LMNAPOLBNPC1RAB9A
SCHEMBL12876347 0.70 LMNA (0.43) ALDH1A1LMNAPOLBNPC1RAB9A
SCHEMBL11540558 0.69 ANPEP (0.48) ALDH1A1TSHRLAP3FDPS
SCHEMBL10714489 0.69 LAP3 (0.51) ALDH1A1POLBTSHRALOX15MAPK1
SCHEMBL6363989 0.69 L3MBTL1 (0.59) ALDH1A1LMNAPOLBNPC1RAB9A

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 ALDH1A1 3620/4885LMNA 2927/4885POLB 3372/4885

“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.