SCHEMBL4582977

SCHEMBL4582977

CCOc1cc(C23CC4CC(C2)CC(c2cc(N)c(O)c(OCC)c2)(C4)C3)cc(N)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ALDH1A1 P00352 5/20 0.37
LMNA P02545 3/20 0.37
PGR P06401 2/20 0.35
GAA P10253 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
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
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 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
SCHEMBL3971722 0.90 ESR1 (0.43) ESR1ALDH1A1LMNAPGRGAA
SCHEMBL4582054 0.85 ALDH1A1 (0.39) ESR1ALDH1A1LMNAPGRGAA
SCHEMBL4823510 0.82 MEN1 (0.44) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL3979167 0.81 GAA (0.49) ESR1ALDH1A1LMNAPGRGAA
SCHEMBL4583075 0.81 ALDH1A1 (0.34) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL4585337 0.80 ALDH1A1 (0.40) ESR1ALDH1A1LMNAPGRGAA
SCHEMBL4583473 0.79 ALDH1A1 (0.37) ESR1ALDH1A1LMNAPGRGAA
SCHEMBL4585737 0.77 ALDH1A1 (0.42) ESR1ALDH1A1LMNAPGRGAA
SCHEMBL4584379 0.77 ALDH1A1 (0.35) ESR1ALDH1A1LMNAPGRGAA
SCHEMBL4584349 0.75 ALDH1A1 (0.42) ESR1ALDH1A1LMNAPGRGAA

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 ESR1 2937/4885ALDH1A1 768/4885LMNA 1843/4885

“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.