SCHEMBL4585737

SCHEMBL4585737

Cc1cc(C23CC4CC(C2)CC(c2cc(C)c(O)c(N)c2)(C4)C3)cc(N)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PGR P06401 5/20 0.39
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36
GFER P55789 1/20 0.36
ACHE P22303 1/20 0.34
HSD11B1 P28845 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
SCHEMBL2048427 0.89 ACHE (0.43) ALDH1A1LMNAGAAPGRGRIN2D
SCHEMBL29518698 0.82 PGR (0.44) ALDH1A1LMNAGAAMAPTPGR
SCHEMBL4584349 0.81 ALDH1A1 (0.42) ALDH1A1LMNAGAAPGRGRIN2D
SCHEMBL4585337 0.81 ALDH1A1 (0.40) ALDH1A1LMNAGAAPGRGRIN2D
SCHEMBL4582054 0.81 ALDH1A1 (0.39) ALDH1A1LMNAGAAMAPTKDM4E
SCHEMBL209155 0.79 SHBG (0.42) ALDH1A1LMNAGAAPGRGRIN2D
SCHEMBL6762622 0.78 ACHE (0.46) ALDH1A1GAAGRIN2DGRIN3BGRIN1
SCHEMBL27451016 0.78 MEN1 (0.52) ALDH1A1LMNAGAAMAPTMEN1
SCHEMBL4583505 0.78 ALDH1A1 (0.39) ALDH1A1LMNAGAAPGRGRIN2D
SCHEMBL211920 0.78 ERN1 (0.39) ALDH1A1LMNAGAAMAPTKDM4E

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 1843/4885GAA 4851/4885

“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.