SCHEMBL4585337

SCHEMBL4585337

CCc1cc(C23CC4CC(C2)CC(c2cc(N)c(O)c(CC)c2)(C4)C3)cc(N)c1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
PGR P06401 8/20 0.37
ESR1 P03372 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
RAD52 P43351 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3973937 0.90 ESR1 (0.40) ALDH1A1LMNAPGRESR1GRIN2D
SCHEMBL4585737 0.81 ALDH1A1 (0.42) ALDH1A1LMNAPGRESR1GRIN2D
SCHEMBL4955291 0.81 ESR1 (0.35) ALDH1A1LMNAPGRESR1MEN1
SCHEMBL4582977 0.80 ESR1 (0.39) ALDH1A1LMNAPGRESR1GRIN2D
SCHEMBL4583324 0.78 CTSD (0.34)
SCHEMBL4584349 0.78 ALDH1A1 (0.42) ALDH1A1LMNAPGRESR1GRIN2D
SCHEMBL4582054 0.77 ALDH1A1 (0.39) ALDH1A1LMNAPGRESR1GRIN2D
SCHEMBL3974495 0.77 MEN1 (0.53) ALDH1A1LMNAPGRESR1MEN1
SCHEMBL12897748 0.75 MEN1 (0.42) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL4583505 0.74 ALDH1A1 (0.39) ALDH1A1LMNAPGRESR1GRIN2D

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 ALDH1A1 768/4885LMNA 1843/4885PGR 4183/4885

“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.