SCHEMBL4071126

SCHEMBL4071126

O=[C]Nc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
HPGD P15428 5/20 0.54
KDM4E B2RXH2 5/20 0.54
MAPT P10636 1/20 0.54
HSD17B10 Q99714 4/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 4/20 0.42
CYP1A1 P04798 2/20 0.42
CYP1B1 Q16678 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL4077152 0.81 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL2837800 0.77 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL14842334 0.77 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL23698267 0.76 HSD17B10 (0.43) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL2390408 0.76 HPRT1 (0.52) ALDH1A1HPGDKDM4EHSD17B10CYP3A4
SCHEMBL10421497 0.74 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL31683709 0.74 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL2317725 0.74 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL3185463 0.74 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL1147227 0.74 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EMAPTHSD17B10

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090156827-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS AND ORGANIC ELECTROLUMINESCENT ELEMENT TOYO INK MFG. CO., LTD. (JP) 2009-06-18 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
EP-2025733-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT TOYO INK MFG. CO., LTD. (JP) 2009-02-18 EP disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
EP-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 EP disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 WO 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 (3 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-20090156827-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS AND ORGANIC ELECTROLUMINESCENT ELEMENT ELP1, ELAVL1, ELF3 ALDH1A1 1089/4885HPGD 4218/4885KDM4E 1648/4885
US-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 ALDH1A1 1014/4885HPGD 2421/4885KDM4E 200/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 ALDH1A1 739/4885HPGD 1893/4885KDM4E 195/4885

“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.