SCHEMBL4495770

SCHEMBL4495770

O=C1C=CC(=O)C(Oc2cccc3ccccc23)=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ERBB2 P04626 1/20 0.40
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 3/20 0.38
MAPK1 P28482 2/20 0.38
PGR P06401 1/20 0.38
PTGS1 P23219 1/20 0.38
HTR1B P28222 2/20 0.38
KMT2A Q03164 3/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL9077009 0.77 MAOA (0.46) MAOAMAOBERBB2ALDH1A1KDM4E
SCHEMBL29465674 0.76 MAOA (0.45) MAOAMAOBERBB2ALDH1A1KDM4E
SCHEMBL442767 0.73 HTR1B (0.54) ALDH1A1KDM4EGAAL3MBTL1MAPT
SCHEMBL29577853 0.73 HTR1B (0.54) ALDH1A1KDM4EGAAL3MBTL1MAPT
SCHEMBL10896758 0.73 MAOA (0.58) MAOAMAOBALDH1A1MAPTNPSR1
SCHEMBL1079030 0.73 ALDH1A1 (0.46) MAOAMAOBALDH1A1KDM4EGAA
Formaldehyde SCHEMBL28332208 0.72 ALDH1A1 (0.50) ALDH1A1KDM4EGAAL3MBTL1MAPT
Methane SCHEMBL10959030 0.71 HTR1B (0.52) ALDH1A1KDM4EGAAL3MBTL1MAPT
Lithium SCHEMBL6571336 0.71 HTR1B (0.52) ALDH1A1KDM4EGAAL3MBTL1MAPT
SCHEMBL7457103 0.71 HTR1B (0.52) ALDH1A1KDM4EGAAL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488820-B2 Naphthofluorescein-based metal sensors, and methods of making and using the same MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-02-10 US disclosed
US-20050186555-A1 Naphthofluorescein-based metal sensors, and methods of making and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-08-25 US disclosed
WO-2005067580-A2 NAPHTHOFLUORESCEIN-BASED METAL SENSORS, AND METHODS OF MAKING AND USING THE SAME MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-07-28 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-20050186555-A1 Naphthofluorescein-based metal sensors, and methods of making and using the same NCF1, NDUFV2, NQO1 MAOA 1175/4885MAOB 1397/4885ERBB2 4577/4885

“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.