SCHEMBL12876168

SCHEMBL12876168

O=P(O)(CP(=O)(O)c1ccccc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
CETP P11597 4/20 0.54
CFTR P13569 1/20 0.50
FOLH1 Q04609 1/20 0.48
ALDH1A1 P00352 4/20 0.45
SRC P12931 1/20 0.43
PDPK1 O15530 1/20 0.42
MTOR P42345 1/20 0.42
ALPG P10696 1/20 0.42
PTK2B Q14289 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL22402591 0.87 TSHR (0.70) TSHRCETPFOLH1ALDH1A1SRC
SCHEMBL9621949 0.84 TSHR (0.66) TSHRCETPFOLH1ALDH1A1SRC
SCHEMBL22402661 0.82 TSHR (0.63) TSHRCETPFOLH1ALDH1A1SRC
SCHEMBL26361306 0.81 TSHR (0.61) TSHRCETPFOLH1ALDH1A1SRC
SCHEMBL752361 0.78 TSHR (0.68) TSHRCETPCFTRFOLH1ALDH1A1
SCHEMBL6135587 0.78 TSHR (0.68) TSHRCETPFOLH1ALDH1A1SRC
SCHEMBL7631529 0.78 TSHR (0.68) TSHRCETPFOLH1ALDH1A1SRC
SCHEMBL5400948 0.77 TSHR (0.61) TSHRCETPCFTRALDH1A1SRC
SCHEMBL17537488 0.77 CFTR (0.73) TSHRCFTRALDH1A1ALPG
SCHEMBL17488976 0.77 CFTR (0.73) TSHRCFTRALDH1A1ALPG

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 TSHR 1365/4885CETP 4844/4885CFTR 2379/4885

“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.