SCHEMBL4584573

SCHEMBL4584573

Cc1cc(C2(c3cc(C)c(O)c(N)c3)C3CC4CC(C3)CC2C4)cc(N)c1O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ACHE P22303 1/20 0.35
CTSD P07339 3/20 0.33
BACE1 P56817 3/20 0.33
BACE2 Q9Y5Z0 3/20 0.33
REN P00797 1/20 0.33
PKM P14618 1/20 0.32
HSD11B1 P28845 1/20 0.31
MAOA P21397 1/20 0.30

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
SCHEMBL2047938 0.88 ACHE (0.44) GAAACHEHSD11B1
SCHEMBL4583143 0.81 FAAH (0.35) KDM4EALDH1A1LMNAMAPTCTSD
SCHEMBL4583499 0.81 HSD11B1 (0.33) HSD11B1
SCHEMBL4583324 0.80 CTSD (0.34) CTSDBACE1BACE2HSD11B1
SCHEMBL4583075 0.78 ALDH1A1 (0.34) KDM4EALDH1A1GAAMAPTCTSD
SCHEMBL4584697 0.77
SCHEMBL791198 0.77 ALDH1A1 (0.39) ALDH1A1LMNAGAACTSDBACE1
SCHEMBL4585737 0.76 ALDH1A1 (0.42) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL4584254 0.76
SCHEMBL4582805 0.75 CTSD (0.31) CTSDBACE1BACE2

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 KDM4E 210/4885ALDH1A1 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.