SCHEMBL4583841

SCHEMBL4583841

Nc1c(O)c(F)cc(C2(c3cc(F)c(O)c(N)c3F)C3CC4CC(C3)CC2C4)c1F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.33
MEN1 O00255 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
SCHEMBL4584439 0.77 KMT2A (0.36) MEN1KMT2A
SCHEMBL4583499 0.73 HSD11B1 (0.33) HSD11B1MEN1KMT2A
SCHEMBL3976244 0.73 HSD11B1 (0.38) HSD11B1MEN1KMT2A
SCHEMBL4585116 0.69 MEN1 (0.32) MEN1KMT2A
SCHEMBL3752236 0.68 ALOX5AP (0.35) MEN1KMT2A
SCHEMBL4585681 0.66
SCHEMBL3757284 0.65 MEN1 (0.36) MEN1KMT2A
SCHEMBL5506992 0.65 CA1 (0.36)
SCHEMBL3757376 0.62 MEN1 (0.34) HSD11B1MEN1KMT2A
SCHEMBL2710599 0.62 GAA (0.42) HSD11B1MEN1KMT2A

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-7423180-B2 Bis(3-amino-4-hydroxyphenyl)adamantane derivatives and process for production thereof IDEMITSU KOSAN CO., LTD. (JP) 2008-09-09 US disclosed
US-20060161016-A1 Bis(3-amino-4-hydroxyphenyl)adamantane derivatives and process for production thereof IDEMITSU KOSAN CO., LTD. (JP) 2006-07-20 US disclosed
EP-1602641-A1 BIS(3-AMINO-4-HYDROXYPHENYL)ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF IDEMITSU KOSAN COMPANY LIMITED (JP) 2005-12-07 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-20060161016-A1 Bis(3-amino-4-hydroxyphenyl)adamantane derivatives and process for production thereof HTR3D, ALKBH3, ALKBH5 HSD11B1 1052/4885MEN1 1616/4885KMT2A 1000/4885

“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.