SCHEMBL2345113

SCHEMBL2345113

CC(F)C(F)(F)C(F)(F)[Sn](OCc1ccccc1)(O[Sn](OCc1ccccc1)(C(F)(F)C(F)(F)C(C)F)C(F)(F)C(F)(F)C(C)F)C(F)(F)C(F)(F)C(C)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
TACR1 P25103 2/20 0.33
IDO1 P14902 3/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
TRPA1 O75762 1/20 0.31
AGXT P21549 1/20 0.31
PTPN1 P18031 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
SCHEMBL2328694 0.94 TSHR (0.35) TSHRHTR2AHTR2CHTR2BTACR1
SCHEMBL2327784 0.84 TSHR (0.35) TSHRIDO1SIGMAR1ALDH1A1LMNA
SCHEMBL4544269 0.77 TSHR (0.34) TSHRTACR1IDO1TP53ALDH1A1
SCHEMBL2345548 0.76 TSHR (0.36) TSHRIDO1CYP1A2CYP2C19ALDH1A1
SCHEMBL2346576 0.75 TSHR (0.35) TSHRIDO1AGXT
SCHEMBL2341570 0.74 TACR1 (0.34) TSHRTACR1IDO1ALDH1A1
SCHEMBL2346569 0.74 TSHR (0.34) TSHRIDO1AGXT
SCHEMBL2364087 0.73 TSHR (0.36) TSHRTACR1IDO1TP53ALDH1A1
SCHEMBL2326009 0.73 SIGMAR1 (0.36) TSHRIDO1TP53CYP1A2CYP3A4
SCHEMBL3266348 0.71 PTPN1 (0.39) TSHRHTR2AHTR2CHTR2BTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1760085-B1 PROCESS FOR PRODUCTION OF ALKYLTIN ALKOXIDES ASAHI KASEI CHEMICALS CORP (JP) 2014-02-26 EP disclosed
EP-1640357-B1 METHOD FOR PRODUCING AROMATIC CARBONATE ASAHI KASEI CHEMICALS CORP (JP) 2011-08-31 EP disclosed
US-7652122-B2 Method for producing an aromatic carbonate ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-01-26 US disclosed
US-7541482-B2 Process for production of alkyltin alkoxides ASAHI KASEI CHEMICALS CORPORATION (JP) 2009-06-02 US disclosed
US-20080275262-A1 Process for Production of Alkyltin Alkoxides ASAHI KASEI CHEMICALS CORPORATION (JP) 2008-11-06 US disclosed
US-20070055042-A1 Method for producing an aromatic carbonate ASAHI KASEI KABUSHIKI KAISHA (JP) 2007-03-08 US disclosed
EP-1760085-A1 PROCESS FOR PRODUCTION OF ALKYLTIN ALKOXIDES Asahi Kasei Chemicals Corporation (JP) 2007-03-07 EP disclosed
EP-1640357-A1 METHOD FOR PRODUCING AROMATIC CARBONATE Asahi Kasei Chemicals Corporation (JP) 2006-03-29 EP 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-20080275262-A1 Process for Production of Alkyltin Alkoxides ALK, MOGAT2, SOAT2 TSHR 349/4885HTR2A 2446/4885HTR2C 2814/4885

“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.