SCHEMBL17820117

SCHEMBL17820117

O=c1c2cc(O)ccc2oc2c(Br)cccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.62
ESR2 Q92731 5/20 0.59
ESR1 P03372 3/20 0.59
DHFR P00374 1/20 0.50
CYP1A2 P05177 1/20 0.50
KCNH2 Q12809 1/20 0.50
TTR P02766 1/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MGAM O43451 1/20 0.47
FASN P49327 1/20 0.47
ATP1A1 P05023 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
SCHEMBL18820396 0.87 ALOX5 (0.50) MAOAESR2ESR1DHFRCYP1A2
SCHEMBL28504758 0.84 GABRP (0.47) MAOATTRCSNK2A2CSNK2BCSNK2A1
SCHEMBL29902443 0.84 GABRP (0.47) MAOATTRCSNK2A2CSNK2BCSNK2A1
SCHEMBL17820957 0.81 TTR (0.71) MAOATTRCSNK2A2CSNK2BCSNK2A1
SCHEMBL3267918 0.80 MAOA (0.64) MAOATTRCYP3A4MAPTKDM4E
SCHEMBL1787845 0.79 MAOA (0.59) MAOAESR2ESR1DHFRCYP1A2
Euxanthone SCHEMBL2161295 0.78 MAOA (0.81) MAOAESR2ESR1DHFRCYP1A2
SCHEMBL15678569 0.78 LOXL2 (0.50) MAOAESR2TTRCYP3A4MAPT
SCHEMBL24343646 0.78 DYRK1A (0.61) MAOAESR2ESR1TTRCSNK2A2
SCHEMBL17820661 0.77 GABRP (0.49) CSNK2A2CSNK2BCSNK2A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 EP disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 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 (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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 MAOA 3482/4885ESR2 2361/4885ESR1 3779/4885

“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.