SCHEMBL4389396

SCHEMBL4389396

O=C(CC(c1ccccc1)C1CCCCC1=O)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.78
POLB P06746 2/20 0.72
KDM4E B2RXH2 3/20 0.70
HPGD P15428 3/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
NPC1 O15118 1/20 0.70
TP53 P04637 1/20 0.70
RAB9A P51151 1/20 0.70
KDM4C Q9H3R0 1/20 0.51
CA1 P00915 1/20 0.49
MCL1 Q07820 1/20 0.49
MAPT P10636 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL16187787 1.00 ALDH1A1 (0.78) ALDH1A1POLBKDM4EHPGDL3MBTL1
SCHEMBL15078047 0.96 ALDH1A1 (0.72) ALDH1A1POLBKDM4EHPGDL3MBTL1
SCHEMBL27988767 0.80 ALDH1A1 (0.57) ALDH1A1POLBKDM4EHPGDL3MBTL1
SCHEMBL5593714 0.79 ALDH1A1 (0.57) ALDH1A1POLBKDM4EHPGDL3MBTL1
SCHEMBL29182250 0.77 ALDH1A1 (0.56) ALDH1A1POLBKDM4EHPGDL3MBTL1
SCHEMBL11836972 0.77 MCL1 (0.54) ALDH1A1POLBKDM4EHPGDL3MBTL1
SCHEMBL6972926 0.77 ALDH1A1 (0.59) ALDH1A1POLBKDM4EHPGDL3MBTL1
SCHEMBL13282510 0.76 ALDH1A1 (0.54) ALDH1A1POLBKDM4EHPGDL3MBTL1
SCHEMBL11477851 0.75 ALDH1A1 (0.59) ALDH1A1POLBKDM4EHPGDL3MBTL1
SCHEMBL11475684 0.74 CA1 (0.64) ALDH1A1POLBKDM4EHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112274-B1 CHEMILUMINESCENT 1,2-DIOXETANES GIRI BRIJ P (US) 2009-12-09 EP disclosed
US-7422908-B2 Chemiluminescent 1,2-dioxetanes GIRI BRIJ P 2008-09-09 US disclosed
US-7416898-B2 Chemiluminescent 1,2-dioxetanes GIRI BRIJ P 2008-08-26 US disclosed
US-20040077018-A1 Chemiluminescent 1,2-dioxetanes GIRI BRIJ P (US) 2004-04-22 US disclosed
US-20030213940-A1 Chemiluminescent 1,2-dioxetanes GIRI BRIJ P (US) 2003-11-20 US disclosed
US-6461876-B1 STABLE SPIROFUSED RINGS; DECOMPOSING TO GENERATE LIGHT AND CARBONYL GROUP; HIGH ENERGY; MEDICINE TOBEN, HOWARD R. 2002-10-08 US disclosed
EP-1112274-A4 CHEMILUMINESCENT 1,2-DIOXETANES GIRI BRIJ P (US) 2002-06-12 EP disclosed
EP-1112274-A1 CHEMILUMINESCENT 1,2-DIOXETANES Giri, Brij P. (US) 2001-07-04 EP disclosed
WO-2000014092-A1 CHEMILUMINESCENT 1,2-DIOXETANES GIRI BRIJ P (US) 2000-03-16 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 (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-20040077018-A1 Chemiluminescent 1,2-dioxetanes CYP19A1, CYP1A1, CYP2F1 ALDH1A1 289/4885POLB 1831/4885KDM4E 2174/4885

“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.