SCHEMBL4455567

SCHEMBL4455567

FC1(F)C2(F)C(F)(F)C3(OCC4CO4)C(F)(F)C1(F)C(F)(F)C(OCC1CO1)(C2(F)F)C3(F)F

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL12639262 0.83 TSHR (0.47) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL14271375 0.79 TSHR (0.33) TSHRMAPK1ALDH1A1
SCHEMBL1884073 0.77 TSHR (0.33) TSHRMAPK1ALDH1A1
SCHEMBL14271371 0.71 TSHR (0.31) TSHRMAPK1
SCHEMBL14271372 0.71 TSHR (0.31) TSHRMAPK1
SCHEMBL3038861 0.66 TSHR (0.43) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL3373749 0.65 TSHR (0.44) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL6384094 0.62 TSHR (0.40) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL18094446 0.62 TSHR (0.40) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL4422929 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099326-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, RESIN COMPOSITION CONTAINING THE SAME, AND ANTIREFLECTION FILM IDEMITSU KOSAN CO., LTD. (JP) 2009-04-16 US disclosed
EP-2014639-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, RESIN COMPOSITION CONTAINING THE SAME, AND ANTIREFLECTION FILM Idemitsu Kosan Co., Ltd. (JP) 2009-01-14 EP disclosed
US-20080071033-A1 Fluoropolymer having a group capable of reacting with an epoxy group or an acid anhydride, a fluorinated compound having an epoxy group, and an acid anhydride; fluorinated adamantane substituted with glycidyl ether; white light emitting diode ASAHI GLASS CO., LTD. (JP) 2008-03-20 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-20090099326-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, RESIN COMPOSITION CONTAINING THE SAME, AND ANTIREFLECTION FILM ADGRF1, RFT1, AFF1 TSHR 958/4885MAPK1 2567/4885ALDH1A1 282/4885

“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.