SCHEMBL4583509

SCHEMBL4583509

Nc1c(O)ccc(C23CC4CC(C2)CC(c2ccc(O)c(N)c2O)(C4)C3)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.38
PGR P06401 2/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
RARB P10826 3/20 0.33
RARA P10276 2/20 0.33
RARG P13631 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3757853 0.84 KMT2A (0.44) KMT2AMEN1POLBGAAGFER
SCHEMBL12339883 0.84 KMT2A (0.39) KMT2AMEN1POLBGAAGFER
SCHEMBL4407300 0.76 GRIN2D (0.38) KMT2AMEN1POLBGAAGFER
SCHEMBL3757968 0.76 KMT2A (0.40) KMT2AMEN1POLBGAAGFER
SCHEMBL4585116 0.75 MEN1 (0.32) KMT2AMEN1POLBGAAGFER
SCHEMBL13004821 0.73 IDO1 (0.43) KMT2AMEN1POLBGAAGFER
SCHEMBL4584297 0.73 KMT2A (0.38) KMT2AMEN1POLBGAAGFER
SCHEMBL3759929 0.73 MEN1 (0.39) KMT2AMEN1POLBGAAGFER
SCHEMBL3768061 0.73 MEN1 (0.52) KMT2AMEN1POLBGAAGFER
SCHEMBL2426368 0.72 KMT2A (0.43) 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.