SCHEMBL4583075

SCHEMBL4583075

CCOc1cc(C2(c3cc(N)c(O)c(OCC)c3)C3CC4CC(C3)CC2C4)cc(N)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GABRA1 P14867 3/20 0.33
GABRB2 P47870 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 2/20 0.33
CREBBP Q92793 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL3981800 0.90 CASP1 (0.34) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL4583143 0.84 FAAH (0.35) ALDH1A1KDM4EHPGDMEN1MAPT
SCHEMBL4582977 0.81 ESR1 (0.39) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL3981612 0.80 GAA (0.45) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL4583324 0.80 CTSD (0.34) CYP1A2CTSDBACE1BACE2
SCHEMBL4584573 0.78 KDM4E (0.43) ALDH1A1KDM4EMAPTGAACTSD
SCHEMBL4582805 0.78 CTSD (0.31) CTSDBACE1BACE2
SCHEMBL4582116 0.76
SCHEMBL4583499 0.75 HSD11B1 (0.33) MEN1KMT2A
SCHEMBL3978480 0.72 PTPN1 (0.40) KDM4EHPGDMEN1MAPTKMT2A

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 768/4885HSD17B10 1779/4885KDM4E 210/4885

“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.