SCHEMBL6409204

SCHEMBL6409204

O=[C]c1cccc(CN2CCOCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.60
HRH3 Q9Y5N1 6/20 0.59
ALDH1A1 P00352 2/20 0.55
HTT P42858 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55
NOS1 P29475 1/20 0.51
PSMB8 P28062 1/20 0.49
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CXCR4 P61073 1/20 0.46
CYP2A13 Q16696 1/20 0.45
PARP1 P09874 2/20 0.45
CA2 P00918 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL27914458 0.90 HRH3 (0.59) NCF1HRH3ALDH1A1HTTKDM4E
SCHEMBL13834647 0.84 NCF1 (0.60) NCF1HRH3ALDH1A1HTTKDM4E
SCHEMBL29809064 0.84 NCF1 (0.60) NCF1HRH3ALDH1A1HTTKDM4E
SCHEMBL578569 0.84 NCF1 (0.60) NCF1HRH3ALDH1A1HTTKDM4E
SCHEMBL11196105 0.83 NCF1 (0.83) NCF1HRH3ALDH1A1HTTKDM4E
SCHEMBL3839191 0.81 HRH3 (0.60) NCF1HRH3NPC1TP53RAB9A
SCHEMBL2324448 0.81 SIGMAR1 (0.57) HRH3CXCR4MEN1KMT2A
Bromide SCHEMBL27780447 0.81 NCF1 (0.64) NCF1HRH3ALDH1A1HTTKDM4E
SCHEMBL2360324 0.80 HRH3 (0.65) HRH3ALDH1A1HPGDNOS1SMN1; SMN2
SCHEMBL22711383 0.79 NCF1 (0.71) NCF1HRH3ALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222098-A1 Regulation of meiosis NOVO NORDISK A/S (DK) 2005-10-06 US disclosed
EP-0767798-B1 STEROL DERIVATIVES USED FOR REGULATION OF MEIOSIS NOVO NORDISK AS (DK) 2003-09-03 EP disclosed
US-20030004148-A1 Regulation of meiosis NOVO NORDISK A/S (DK) 2003-01-02 US disclosed
CN-1341590-A Proteinase inhibitor SMITHKLINE BEECHEM CORP (US) 2002-03-27 CN disclosed
CN-1341592-A Proteinase inhibitor SMITHKLINE BEECHEM CORP (US) 2002-03-27 CN disclosed
CN-1341593-A Proteinase inhibitor SMITHKLINE BEECHEM CORP (US) 2002-03-27 CN disclosed
CN-1068333-C Sterol derivatives used for regulation of meiosis NOVO NORDISK AS (DK) 2001-07-11 CN disclosed
CN-1151164-A Sterol derivatives used for regulation of meiosis NOVO NORDISK AS (DK) 1997-06-04 CN disclosed
EP-0767798-A1 STEROL DERIVATIVES USED FOR REGULATION OF MEIOSIS NOVO NORDISK A/S (DK) 1997-04-16 EP disclosed
WO-1996000235-A1 STEROL DERIVATIVES USED FOR REGULATION OF MEIOSIS NOVO NORDISK A/S (DK) 1996-01-04 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-20050222098-A1 Regulation of meiosis ALPG, MNS1, BUB1B NCF1 1867/4885HRH3 3595/4885ALDH1A1 2659/4885
US-20030004148-A1 Regulation of meiosis ALPG, MNS1, BUB1B NCF1 1867/4885HRH3 3595/4885ALDH1A1 2659/4885

“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.