SCHEMBL1892363

SCHEMBL1892363

OCC(O)COC12C(F)(F)C3(F)C(F)(F)C(OCC(O)CO)(C1(F)F)C(F)(F)C(OCC(O)CO)(C3(F)F)C2(F)F

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 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
SCHEMBL1886701 0.98 ALDH1A1 (0.31) ALDH1A1LMNA
SCHEMBL1887942 0.96 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL1883676 0.94 LMNA (0.36) ALDH1A1LMNA
SCHEMBL14271374 0.87
SCHEMBL1882092 0.83
SCHEMBL1885865 0.82
SCHEMBL1882473 0.79
SCHEMBL1888176 0.79 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL1886165 0.79
SCHEMBL1884041 0.77

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-7939682-B2 Fluorine-containing adamantane derivative, fluorine-containing adamantane derivative having polymerizable group, and resin composition containing same IDEMITSU KOSAN CO., LTD. (JP) 2011-05-10 US disclosed
US-20090149665-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, AND RESIN COMPOSITION CONTAINING SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-06-11 US disclosed
EP-1950190-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, AND RESIN COMPOSITION CONTAINING SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-07-30 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-20090149665-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, AND RESIN COMPOSITION CONTAINING SAME TAS1R1, ADORA1, TAS2R1 ALDH1A1 276/4885LMNA 3287/4885

“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.