SCHEMBL13610609

SCHEMBL13610609

O=C(CCS)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL13610607 0.94 TSHR (0.40) TSHRUSP2MAPTCYP1A2CYP2C19
SCHEMBL9560795 0.84 TSHR (0.44) TSHRUSP2MAPTCYP1A2CYP2C9
SCHEMBL9560780 0.84 TSHR (0.44) TSHRUSP2MAPTCYP1A2CYP2C9
SCHEMBL9560553 0.84 TSHR (0.44) TSHRUSP2MAPTCYP1A2CYP2C9
SCHEMBL13610617 0.84 TSHR (0.35) TSHRUSP2MAPTCYP1A2CYP2C19
SCHEMBL6259578 0.83 TSHR (0.40) TSHRUSP2MAPTCYP1A2CYP2C9
SCHEMBL9560942 0.82 MAPT (0.42) TSHRUSP2MAPTCYP1A2CYP2C9
SCHEMBL20867556 0.82 TSHR (0.42) TSHRUSP2MAPTCYP1A2CYP2C9
SCHEMBL9560423 0.82 MAPT (0.42) TSHRUSP2MAPTCYP1A2CYP2C9
SCHEMBL9560591 0.82 MAPT (0.42) TSHRUSP2MAPTCYP1A2CYP2C9

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-7623751-B2 Compound, polymerizable composition, optical device, and method for producing refractive index profile optical device FUJIFILM CORPORATION (JP) 2009-11-24 US disclosed
US-20080226244-A1 Compound, Polymerizable Composition, Optical Device, and Method for Producing Refractive Index Profile Optical Device FUJIFILM CORPORATION (JP) 2008-09-18 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-20080226244-A1 Compound, Polymerizable Composition, Optical Device, and Method for Producing Refractive Index Profile Optical Device PIEZO1, PFN1, INF2 TSHR 2398/4885USP2 4518/4885MAPT 2002/4885

“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.