SCHEMBL10028236

SCHEMBL10028236

Brc1c2ccccc2c2ccc3oc4c(Br)c5ccccc5c5ccc6oc1c2c3-c6c45

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
PTPRC P08575 1/20 0.36
PTPRF P10586 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPRA P18433 1/20 0.36
PTPRB P23467 1/20 0.36
PTPN6 P29350 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN12 Q05209 1/20 0.36
AHR P35869 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
CDC25C P30307 1/20 0.31
LIMK1 P53667 1/20 0.31
KDM5A P29375 1/20 0.31
CDC14B O60729 1/20 0.31
CDC14A Q9UNH5 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL10028234 0.85 MAOA (0.35) MAOAPTPRCPTPRFPTPN1PTPRA
SCHEMBL10028155 0.76 CA1 (0.37) AHRSMN1; SMN2CDC14BCDC14AALDH1A1
SCHEMBL10028153 0.71 ALDH1A1 (0.38) MAOACDC25ACDC25CALDH1A1CYP1A2
SCHEMBL10028162 0.70 CYP1A2 (0.39) PTPN6SMN1; SMN2CDC25ACDC25BCDC25C
SCHEMBL28525337 0.70 AHR (0.36) MAOAAHRSMN1; SMN2LIMK1KDM5A
SCHEMBL10028233 0.69 ESR2 (0.33) AHR
SCHEMBL10028139 0.69 CA1 (0.37) AHRCDC14BCDC14AALDH1A1CYP1A2
SCHEMBL10028130 0.68 HPGD (0.39) MAOAAHRALDH1A1CYP1A2HPGD
SCHEMBL31502572 0.68 CYP1A2 (0.42) MAOAAHRALDH1A1CYP1A2THRB
SCHEMBL31502573 0.68 CYP1A2 (0.42) MAOAAHRALDH1A1CYP1A2THRB

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-8114531-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-02-14 US disclosed
US-8114531-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-02-14 US disclosed
US-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-01-21 US disclosed
US-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-01-21 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-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, SOD1, SLC40A1 MAOA 469/4885PTPRC 3653/4885PTPRF 3671/4885

“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.