SCHEMBL20174705

SCHEMBL20174705

OC1(c2ccccc2-c2coc3ccccc23)c2ccccc2-c2ccc(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.47
GSK3B P49841 8/20 0.41
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
DRD4 P21917 1/20 0.35
MAOB P27338 2/20 0.35
MIF P14174 1/20 0.35
NMUR2 Q9GZQ4 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GRK2 P25098 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL26286575 0.93 PDK2 (0.41) PDK2GSK3BDRD2DRD3DRD4
SCHEMBL20175199 0.93 PDK2 (0.41) PDK2GSK3BDRD2DRD3DRD4
SCHEMBL18804886 0.80 PDK2 (0.51) PDK2OPRM1OPRD1MEN1KMT2A
SCHEMBL20199300 0.80 PDK2 (0.46) PDK2GSK3BDRD2DRD3DRD4
SCHEMBL18118801 0.79 ALOX5 (0.46) PDK2NMUR2OPRM1OPRD1MEN1
SCHEMBL19395170 0.79 PDK2 (0.45) PDK2NMUR2OPRM1OPRD1MEN1
SCHEMBL16232654 0.79 ALOX5 (0.52) PDK2NMUR2OPRM1OPRD1MEN1
SCHEMBL19395178 0.79 PDK2 (0.45) PDK2NMUR2OPRM1OPRD1MEN1
SCHEMBL16232652 0.79 ALOX5 (0.52) PDK2NMUR2OPRM1OPRD1MEN1
SCHEMBL19395171 0.78 ALOX5 (0.51) PDK2NMUR2OPRM1OPRD1MEN1

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 PDK2 651/4885GSK3B 3881/4885DRD2 804/4885
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885GSK3B 3881/4885DRD2 804/4885

“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.