SCHEMBL9402845

SCHEMBL9402845

CCOP(=O)(OCC)C(COC)P(=O)(OCC)OCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HMGCR P04035 2/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARD Q03181 2/20 0.33
GAA P10253 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL12440450 0.84 TSHR (0.40) TSHRHMGCRTP53TDP1POLB
SCHEMBL12440389 0.80 TSHR (0.37) TSHRHMGCRTP53TDP1POLB
SCHEMBL9652021 0.77 TSHR (0.48) TSHRHMGCRTP53TDP1POLB
SCHEMBL14010277 0.77 LMNA (0.36) CYP2C19LMNA
SCHEMBL12876228 0.74 PPARD (0.36) TSHRTP53TDP1PPARDCA12
SCHEMBL7644740 0.73 TSHR (0.43) TSHRHMGCRTP53TDP1POLB
SCHEMBL19468552 0.73 TSHR (0.43) TSHRHMGCRTP53TDP1POLB
SCHEMBL9063886 0.73 PPARD (0.44) TSHRHMGCRTP53TDP1POLB
SCHEMBL1852177 0.73 TSHR (0.39) TSHRHMGCRTP53TDP1POLB
SCHEMBL1850109 0.73 AOX1 (0.40) TSHRHMGCRTP53TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9320803-B2 Bisphosphonate-prodrugs KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2016-04-26 US disclosed
US-9320803-B2 Bisphosphonate-prodrugs KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2016-04-26 US disclosed
US-20140051623-A1 Bisphosphonate-Prodrugs KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2014-02-20 US disclosed
US-20140051623-A1 Bisphosphonate-Prodrugs KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2014-02-20 US disclosed
US-5300604-A Functionalizing styrene-tyrep polymers with bisphosphonic acid derivatives and crosslinkers NAESMAN JAN ANDERS H (FI) 1994-04-05 US disclosed
US-5200554-A Macroporous styrene copolymers; crosslinking, durability NASMAN JAN ANDERS H (US) 1993-04-06 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-20140051623-A1 Bisphosphonate-Prodrugs BPGM, PIK3CA, PPA1 TSHR 2948/4885HMGCR 2300/4885TP53 519/4885

“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.