SCHEMBL20199302

SCHEMBL20199302

OC1(c2ccccc2-c2cc3ccccc3s2)c2ccccc2-c2ccc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.46
APP P05067 2/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
ERN1 O75460 2/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
HDAC4 P56524 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 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
SCHEMBL20175215 0.93 PDK2 (0.40) PDK2APPPIK3R1PIK3CAHSD17B1
SCHEMBL17533941 0.89 APP (0.47) APPPIK3R1PIK3CAHSD17B1HSD17B2
SCHEMBL20174704 0.81 PDK2 (0.45) PDK2APPPIK3R1PIK3CAHSD17B1
SCHEMBL18804886 0.76 PDK2 (0.51) PDK2CA1CA2CA9CYP2A6
SCHEMBL18034478 0.75 PDK2 (0.45) PDK2OPRM1OPRD1
SCHEMBL19395204 0.75 PDK2 (0.50) PDK2HDAC8HDAC6CYP2A6OPRM1
SCHEMBL19395202 0.75 PDK2 (0.50) PDK2HDAC8HDAC6CYP2A6OPRM1
SCHEMBL20174698 0.75 PDK2 (0.47) PDK2APPERN1HDAC4HDAC3
SCHEMBL19395184 0.74 ALOX5 (0.44) PDK2PIK3CABRD4OPRM1OPRD1
SCHEMBL19395190 0.74 PDK2 (0.44) 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-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 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-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885APP 2417/4885PIK3R1 4864/4885

“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.