SCHEMBL18156798

SCHEMBL18156798

O=C1c2ccccc2-c2cc3c(cc21)Cc1ccccc1-3

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
SCHEMBL5403107 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 4 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-9780311-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2017-10-03 US disclosed
US-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2016-10-20 US disclosed
US-20140225040-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2014-08-14 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.