SCHEMBL16450271

SCHEMBL16450271

CP(C)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2324973 0.84 TSHR (0.44) TSHRKDM4ETDP1CYP1A2CYP2C19
SCHEMBL2120183 0.79 TSHR (0.40) TSHRKDM4ETDP1CYP1A2CYP2C19
SCHEMBL15538517 0.78 TSHR (0.42) TSHRKDM4ETDP1CYP1A2CYP2C19
SCHEMBL15230588 0.78 TSHR (0.39) TSHRKDM4ETDP1CYP1A2CYP2C19
SCHEMBL21983652 0.77 TSHR (0.43) TSHRKDM4ETDP1CYP1A2CYP2C19
SCHEMBL13239550 0.75 CYP1A2 (0.32) CYP1A2CYP2C19
Diethylamine SCHEMBL16774724 0.75 TSHR (0.41) TSHRKDM4ETDP1CYP1A2CYP2C19
SCHEMBL11331956 0.74 TSHR (0.47) TSHRKDM4ETDP1CYP1A2CYP2C19
SCHEMBL11333895 0.74 TSHR (0.47) TSHRKDM4ETDP1CYP1A2CYP2C19
SCHEMBL11330708 0.74 TSHR (0.47) TSHRKDM4ETDP1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056881-B2 Process for the preparation of phosphinic acid esters MERCK PATENT GMBH (DE) 2015-06-16 US disclosed
US-20150045572-A1 PROCESS FOR THE PREPARATION OF PHOSPHINIC ACID ESTERS MERCK PATENT GMBH (DE) 2015-02-12 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-20150045572-A1 PROCESS FOR THE PREPARATION OF PHOSPHINIC ACID ESTERS PHOSPHO1, ALK, PTEN TSHR 471/4885KDM4E 1568/4885TDP1 2656/4885

“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.