SCHEMBL20174689

SCHEMBL20174689

OC1(c2ccccc2-c2cc3ccccc3o2)c2ccccc2-c2c(Br)cccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.58
MAOA P21397 4/20 0.58
PDK2 Q15119 2/20 0.45
ALOX5 P09917 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
RAB9A P51151 1/20 0.36
PTPRC P08575 1/20 0.36
PTPN1 P18031 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
BRD4 O60885 2/20 0.36
CREBBP Q92793 2/20 0.36
HTR2C P28335 1/20 0.36
ADRA2A P08913 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
POLB P06746 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL20175210 0.91 MAOB (0.49) MAOBMAOAPDK2MEN1KMT2A
SCHEMBL20175204 0.90 MAOB (0.50) MAOBMAOAPDK2ALOX5MEN1
SCHEMBL20174687 0.81 MAOB (0.52) MAOBMAOAPDK2ALOX5MEN1
SCHEMBL20174691 0.75 MAOB (1.00) MAOBMAOAALOX5MEN1KMT2A
SCHEMBL19683792 0.75 PDK2 (0.51) PDK2MEN1KMT2ACA1CA2
SCHEMBL20175209 0.75 MAOB (0.46) MAOBMAOAPDK2ALOX5MEN1
SCHEMBL22522739 0.75 PDK2 (0.48) MAOAPDK2CA1CA2CA9
SCHEMBL22522913 0.75 PDK2 (0.48) PDK2ALOX5CA1CA2CA9
SCHEMBL15587219 0.73 PDK2 (0.55) PDK2TDP1CA1CA2CA9
SCHEMBL20199300 0.73 PDK2 (0.46) MAOBPDK2CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG MAOB 2875/4885MAOA 3325/4885PDK2 651/4885
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG MAOB 2875/4885MAOA 3325/4885PDK2 651/4885

“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.