SCHEMBL4584297

SCHEMBL4584297

Nc1c(O)cc(O)c(C23CC4CC(C2)CC(c2c(O)cc(O)c(N)c2O)(C4)C3)c1O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.35
PGR P06401 1/20 0.35
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
MAPK1 P28482 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
SCHEMBL3752143 0.77 MEN1 (0.43) KMT2AMEN1POLBGAAGFER
SCHEMBL3762683 0.75 MEN1 (0.46) KMT2AMEN1POLBGAAGFER
SCHEMBL4585681 0.75
SCHEMBL4583509 0.73 KMT2A (0.41) KMT2AMEN1POLBGAAGFER
SCHEMBL3752409 0.71 MEN1 (0.44) KMT2AMEN1POLBGAAGFER
SCHEMBL548925 0.70 MEN1 (0.52) KMT2AMEN1POLBGAAGFER
SCHEMBL3766020 0.69 KMT2A (0.47) KMT2AMEN1POLBGAAGFER
SCHEMBL549511 0.69 MEN1 (0.47) KMT2AMEN1POLBGAAGFER
SCHEMBL8080235 0.67 MEN1 (0.37) KMT2AMEN1POLBGAAGFER
SCHEMBL549707 0.67 MEN1 (0.44) KMT2AMEN1POLBGAAGFER

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 KMT2A 1000/4885MEN1 1616/4885POLB 1367/4885

“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.