SCHEMBL20175199

SCHEMBL20175199

OC1(c2cc(Cl)ccc2-c2coc3ccccc23)c2ccccc2-c2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.41
GSK3B P49841 4/20 0.37
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
MAOB P27338 5/20 0.33
MAOA P21397 4/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 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
SCHEMBL20174705 0.93 PDK2 (0.47) PDK2GSK3BDRD2DRD4DRD3
SCHEMBL26286575 0.86 PDK2 (0.41) PDK2GSK3BDRD2DRD4DRD3
SCHEMBL20175209 0.78 MAOB (0.46) PDK2MAOBMAOAOPRM1OPRD1
SCHEMBL20175214 0.77 PDK2 (0.41) PDK2DRD2DRD4DRD3MAOB
SCHEMBL19167331 0.75 PDK2 (0.49) PDK2
SCHEMBL19167901 0.75 PDK2 (0.49) PDK2
SCHEMBL18804886 0.74 PDK2 (0.51) PDK2OPRM1OPRD1
SCHEMBL20199300 0.74 PDK2 (0.46) PDK2GSK3BDRD2DRD4DRD3
SCHEMBL20175202 0.74 AHR (0.42) GSK3BDRD2DRD4DRD3MAOB
SCHEMBL20373828 0.74 PDK2 (0.54) PDK2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE 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 (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-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, NR2E3, ALDH1A2 PDK2 580/4885GSK3B 3737/4885DRD2 277/4885

“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.