SCHEMBL2121871

SCHEMBL2121871

O=P(OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 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
SCHEMBL2121630 1.00 TSHR (0.40) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL21983652 0.95 TSHR (0.43) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL2120183 0.93 TSHR (0.40) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL15538517 0.93 TSHR (0.42) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL2324973 0.87 TSHR (0.44) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL21983938 0.87 TSHR (0.39) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL11330708 0.81 TSHR (0.47) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL11333895 0.81 TSHR (0.47) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL11331956 0.81 TSHR (0.47) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL2046218 0.81 TSHR (0.47) TSHRUSP2MAPTKDM4ETDP1

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-20120094190-A1 ASYMMETRIC AND/OR LOW-SYMMETRIC FLUORINE-CONTAINING PHOSPHATE FOR NON-AQUEOUS ELECTROLYTE SOLUTION TOSOH F-TECH, INC. (JP) 2012-04-19 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-20120094190-A1 ASYMMETRIC AND/OR LOW-SYMMETRIC FLUORINE-CONTAINING PHOSPHATE FOR NON-AQUEOUS ELECTROLYTE SOLUTION NAF1, AFF1, PHOSPHO1 TSHR 1704/4885USP2 4191/4885MAPT 4075/4885

“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.