SCHEMBL5376045

SCHEMBL5376045

CC(=O)c1ccc2cccc3c2c1CC3

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 4/20 0.58
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
RECQL P46063 1/20 0.47
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5372899 0.85 KDM4E (0.48) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL18538369 0.83 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL18499906 0.83 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL21847561 0.77 KMT2A (0.58) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL18499927 0.76 MTNR1A (0.43) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL26184886 0.76 ALDH1A1 (0.46) KDM4EALDH1A1MAPTMAPK1TDP1
SCHEMBL11715074 0.76 ALDH1A1 (0.67) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL3528800 0.74 ALDH1A1 (1.00) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL5373055 0.73 CYP11B1 (0.47) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL5379940 0.73 CYP11B1 (0.51) KDM4EALDH1A1HPGDMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049906-A1 TRANSLOCATION OF NON-NATURAL CHEMICAL ENTITIES THROUGH ANTHRAX PROTECTIVE ANTIGEN PORE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-02-23 US disclosed
US-9498538-B2 Translocation of non-natural chemical entities through anthrax protective antigen pore MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-11-22 US disclosed
US-9498538-B2 Translocation of non-natural chemical entities through anthrax protective antigen pore MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-11-22 US disclosed
US-20150165062-A1 TRANSLOCATION OF NON-NATURAL CHEMICAL ENTITIES THROUGH ANTHRAX PROTECTIVE ANTIGEN PORE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-18 US disclosed
US-20150165062-A1 TRANSLOCATION OF NON-NATURAL CHEMICAL ENTITIES THROUGH ANTHRAX PROTECTIVE ANTIGEN PORE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-18 US disclosed
WO-2013177231-A1 TRANSLOCATION OF NON-NATURAL CHEMICAL ENTITIES THROUGH ANTHRAX PROTECTIVE ANTIGEN PORE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-11-28 WO disclosed
US-20070248911-A1 Pattern forming method and bilayer film IWASAWA HARUO 2007-10-25 US disclosed
US-7244549-B2 Pattern forming method and bilayer film JSR CORPORATION (JP) 2007-07-17 US disclosed
US-20030073040-A1 Pattern forming method and bilayer film JSR CORPORATION (JP) 2003-04-17 US disclosed
US-6362181-B1 BACTERICIDES; ENZYME INHIBITORS; ANTITUMOR AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US disclosed
US-6177423-B1 N-(HYDROXY OR PROTECTED HYDROXY)-BENZO(DE)ISOQUINOLINE-1,3-DIONE DERIVATIVES; BACTERIAL DNA GYRASE AND DNA TOPOISOMERASE INHIBITORS USEFUL FOR ANTIBACTERIAL AGENTS HAVING REDUCED DRUG RESISTANCE AND REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY 2001-01-23 US disclosed
EP-0939754-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-09-08 EP disclosed
WO-1998019648-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-14 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 (2 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-20150165062-A1 TRANSLOCATION OF NON-NATURAL CHEMICAL ENTITIES THROUGH ANTHRAX PROTECTIVE ANTIGEN PORE ANTXR2, SLC47A2, SLC47A1 KDM4E 4426/4885ALDH1A1 4454/4885HPGD 1200/4885
US-20170049906-A1 TRANSLOCATION OF NON-NATURAL CHEMICAL ENTITIES THROUGH ANTHRAX PROTECTIVE ANTIGEN PORE ANTXR2, SLC47A2, SLC47A1 KDM4E 4426/4885ALDH1A1 4454/4885HPGD 1200/4885

“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.