SCHEMBL2210400

SCHEMBL2210400

OC1C=CC(O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
EDNRA P25101 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 1/20 0.32
CA12 O43570 1/20 0.32
GMNN O75496 1/20 0.32
EGFR P00533 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
FYN P06241 1/20 0.32

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
SCHEMBL8693899 0.75 HTR2A (0.41) MAOAMAOBMEN1KMT2AGAA
SCHEMBL197033 0.75 HTR2A (0.41) MAOAMAOBMEN1KMT2AGAA
SCHEMBL30990099 0.75 HTR2A (0.41) MAOAMAOBMEN1KMT2AGAA
SCHEMBL29430337 0.75 HTR2A (0.41) MAOAMAOBMEN1KMT2AGAA
SCHEMBL8693987 0.75 HTR2A (0.41) MAOAMAOBMEN1KMT2AGAA
SCHEMBL31297722 0.75 HTR2A (0.41) MAOAMAOBMEN1KMT2AGAA
SCHEMBL7632434 0.73 HTR2A (0.40) MAOAMAOBMEN1KMT2AGAA
SCHEMBL29638852 0.72 MAOA (0.60) MAOAMAOBMEN1KMT2AGAA
SCHEMBL29503343 0.72 MAOA (0.60) MAOAMAOBMEN1KMT2AGAA
SCHEMBL3628239 0.72 MAOA (0.60) MAOAMAOBMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9620297-B2 Electricity storage device and electrode material therefor TOHOKU UNIVERSITY (JP) 2017-04-11 US disclosed
US-20160035498-A1 ELECTRICITY STORAGE DEVICE AND ELECTRODE MATERIAL THEREFOR TOHOKU UNIVERSITY (JP) 2016-02-04 US disclosed
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2011-08-04 US disclosed
US-7982064-B2 Method for preparing ortho-substituted aminoferrocenes BROCK UNIVERSITY (CA) 2011-07-19 US disclosed
US-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2010-06-17 US disclosed
US-20100137588-A1 METHOD FOR PREPARING ORTHO-SUBSTITUTED AMINOFERROCENES BROCK UNIVERSITY (CA) 2010-06-03 US disclosed
US-4982015-A DIHYDRODIHYDROXYNAPHTHALENE SUBSTITUTED WITH ELECTRON WITHDRAWING GROUP SHELL OIL COMPANY (US) 1991-01-01 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 (3 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-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto PFAS, AGPS, FDPS MAOA 220/4885MAOB 69/4885MEN1 2099/4885
US-20100137588-A1 METHOD FOR PREPARING ORTHO-SUBSTITUTED AMINOFERROCENES LPO, AOC1, AOC2 MAOA 1606/4885MAOB 1430/4885MEN1 2900/4885
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto PFAS, AGPS, FDPS MAOA 292/4885MAOB 96/4885MEN1 1047/4885

“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.