SCHEMBL377790

SCHEMBL377790

Nc1ccc(CCN2CCCC2)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
CDC25B P30305 1/20 0.57
CASP6 P55212 1/20 0.57
RCE1 Q9Y256 1/20 0.57
IP6K1 Q92551 1/20 0.54
HRH3 Q9Y5N1 6/20 0.48
SIGMAR1 Q99720 3/20 0.48
SLC6A3 Q01959 2/20 0.47
MBTD1 Q05BQ5 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GFER P55789 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MCL1 Q07820 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL377927 0.88 HRH3 (0.48) ALDH1A1CDC25BCASP6RCE1HRH3
SCHEMBL377916 0.83 KDM4E (0.61) ALDH1A1HRH3SIGMAR1MBTD1L3MBTL3
SCHEMBL25170829 0.81 ALDH1A1 (0.78) ALDH1A1CDC25BCASP6RCE1IP6K1
SCHEMBL30291197 0.81 ALDH1A1 (0.78) ALDH1A1CDC25BCASP6RCE1IP6K1
SCHEMBL16294984 0.79 HRH3 (0.57) HRH3SIGMAR1SLC6A3MBTD1L3MBTL3
SCHEMBL14966743 0.78 HRH3 (0.51) HRH3SIGMAR1SLC6A3MBTD1L3MBTL3
SCHEMBL13162821 0.77 HRH3 (0.55) ALDH1A1HRH3SIGMAR1KMT2AKDM4E
SCHEMBL15888559 0.77 HTR4 (0.51) ALDH1A1HRH3SIGMAR1KMT2APOLB
SCHEMBL377882 0.76 SIGMAR1 (0.54) ALDH1A1SIGMAR1L3MBTL3KMT2AKDM4E
SCHEMBL31236857 0.76 ALDH1A1 (0.70) ALDH1A1CDC25BCASP6RCE1IP6K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408454-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2024-07-24 EP disclosed
US-11407719-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2022-08-09 US disclosed
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2021-03-11 US disclosed
US-10882828-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2021-01-05 US disclosed
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2019-04-25 US disclosed
US-10131640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2018-11-20 US disclosed
CN-105859639-A NOVEL ANTI-INFLAMMATORY AGENTS 雷斯韦洛吉克斯公司 2016-08-17 CN disclosed
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2016-05-19 US disclosed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 US disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 US disclosed
EP-2408454-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-01-25 EP disclosed
WO-2010106436-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-09-23 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 (7 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-11407719-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 ALDH1A1 587/4885CDC25B 3411/4885CASP6 29/4885
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 ALDH1A1 650/4885CDC25B 3895/4885CASP6 30/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 ALDH1A1 587/4885CDC25B 3411/4885CASP6 29/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 ALDH1A1 587/4885CDC25B 3411/4885CASP6 29/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 ALDH1A1 587/4885CDC25B 3411/4885CASP6 29/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 ALDH1A1 650/4885CDC25B 3895/4885CASP6 30/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 ALDH1A1 650/4885CDC25B 3895/4885CASP6 30/4885

“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.