SCHEMBL4331183

SCHEMBL4331183

C=CC(=O)OC12CC3CC(C1)CC(OC(=O)C=C)(C3)C2F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 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
SCHEMBL4333995 0.81
SCHEMBL4336277 0.80
SCHEMBL31309841 0.79 THRB (0.30) ALDH1A1
SCHEMBL685637 0.78
SCHEMBL12432884 0.77
SCHEMBL454650 0.76 THRB (0.30) ALDH1A1
SCHEMBL4320057 0.75
SCHEMBL284284 0.75 NAAA (0.32)
SCHEMBL7182277 0.74
SCHEMBL822780 0.74 ALDH1A1 (0.36) MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511177-B2 Fluoroadamantane derivative ASAHI GLASS COMPANY, LIMITED (JP) 2009-03-31 US disclosed
US-7402714-B2 Fluoroadamantane derivative ASAHI GLASS COMPANY, LIMITED (JP) 2008-07-22 US disclosed
US-20080132736-A1 FLUOROADAMANTANE DERIVATIVE ASAHI GLASS COMPANY, LIMITED (JP) 2008-06-05 US disclosed
US-20070129566-A1 FLUOROADAMANTANE DERIVATIVE ASAHI GLASS COMPANY, LIMITED (JP) 2007-06-07 US disclosed
EP-1757575-A1 FLUOROADAMANTANE DERIVATIVE Asahi Glass Company, Limited (JP) 2007-02-28 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 (2 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-20080132736-A1 FLUOROADAMANTANE DERIVATIVE AFF1, AFF2, AFF4 MEN1 1727/4885ALDH1A1 175/4885KMT2A 922/4885
US-20070129566-A1 FLUOROADAMANTANE DERIVATIVE AFF1, AFF2, AFF4 MEN1 1727/4885ALDH1A1 175/4885KMT2A 922/4885

“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.