SCHEMBL5403107

SCHEMBL5403107

O=C1c2ccccc2-c2cc3c(cc21)-c1ccccc1C3

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.61
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
CES1 P23141 3/20 0.47
BCHE P06276 2/20 0.47
SRD5A2 P31213 1/20 0.46
USP8 P40818 1/20 0.46
USP7 Q93009 1/20 0.46
MAPK1 P28482 3/20 0.44
CYP1A2 P05177 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 2/20 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
SCHEMBL18156798 1.00 MAOA (0.61) MAOAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL29546605 0.96 MAOA (0.65) MAOAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL23566781 0.96 MAOA (0.65) MAOAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL20669041 0.89 MAOA (0.57) MAOAALDH1A1SMN1; SMN2MAPTNPC1
Fluorene SCHEMBL28830024 0.86 MAOA (0.81) MAOAALDH1A1SMN1; SMN2MAPTNPC1
Anthraquinone SCHEMBL28529223 0.84 MAOA (0.85) MAOAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL5021694 0.82 MAOA (0.82) MAOAALDH1A1SMN1; SMN2MAPTNPC1
Anthrone SCHEMBL8617645 0.82 MAOA (0.90) MAOAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL30912172 0.82 SMN1; SMN2 (0.64) MAOAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL5016641 0.82 SMN1; SMN2 (0.64) MAOAALDH1A1SMN1; SMN2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2023-04-27 US disclosed
US-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2016-10-20 US disclosed
US-7182850-B2 oxidation of aromatic hydrocarbons into cyclopentanone compound; oxidation of fluorene into polyfluorenone IM&T RESEARCH, INC. (US) 2007-02-27 US disclosed
US-7087681-B2 Electrochemistry polymerization; blend of aromatic resin and cyclopentanone ; oxidation to polyfluorenes IM&T RESEARCH, INC. (US) 2006-08-08 US disclosed
US-20050045492-A1 Method for preparing polymers containing cyclopentanone structures IM&T RESEARCH, INC. 2005-03-03 US disclosed
US-6835296-B2 Electrochemical polymerization; polyfluorenone; light emitting diodes IM&T RESEARCH, INC. 2004-12-28 US disclosed
US-20040206633-A1 oxidation of aromatic hydrocarbons into cyclopentanone compound; oxidation of fluorene into polyfluorenone IM&T RESEARCH, INC. 2004-10-21 US disclosed
US-20040210033-A1 Electrochemistry polymerization; blend of aromatic resin and cyclopentanone ; oxidation to polyfluorenes IM&T RESEARCH, INC. 2004-10-21 US disclosed
US-6767446-B2 ELECTROLYTIC POLYMERIZATION OF AROMATIC HYDROCARBONS SUCH AS FLUORENE IN THE PRESENCE OF AN ESTER; OXIDIZING RESULTING POLYMER TO PRODUCE A CYCLOPENTANONE-CONTAINING POLYMER SUCH AS POLY(9-FLUORENONE); LIGHT EMITTING DIODES IM&T RESEARCH, INC. 2004-07-27 US disclosed
US-20030081432-A1 Electrolytic polymerization of aromatic hydrocarbons such as fluorene in the presence of an ester; oxidizing resulting polymer to produce a cyclopentanone-containing polymer such as poly(9-fluorenone); light emitting diodes IM&T RESEARCH, INC. 2003-05-01 US disclosed
US-20030066757-A1 Method for preparing polymers containing cyclopentanone structures IM&T RESEARCH, INC. 2003-04-10 US 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-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 MAOA 3085/4885ALDH1A1 383/4885SMN1; SMN2 3900/4885
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 MAOA 3085/4885ALDH1A1 383/4885SMN1; SMN2 3900/4885

“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.