SCHEMBL21473094

SCHEMBL21473094

c1ccc(-c2ccc(-c3cccc4c5ccc6c7cnccc7c7cccc8c7c6c5n8c34)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.42
DYRK1A Q13627 2/20 0.34
CYP17A1 P05093 4/20 0.34
CYP1A2 P05177 4/20 0.34
KCNH2 Q12809 1/20 0.33
CDC7 O00311 1/20 0.32
CDK2 P24941 1/20 0.32
IMPDH2 P12268 1/20 0.32
HTR6 P50406 1/20 0.32
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32
ACHE P22303 1/20 0.32
CSNK2A2 P19784 2/20 0.31
CSNK2B P67870 2/20 0.31
TOP2A P11388 1/20 0.31

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
SCHEMBL21473093 1.00 TNF (0.42) TNFDYRK1ACYP17A1CYP1A2KCNH2
SCHEMBL21473074 0.89 TNF (0.38) TNFDYRK1ACYP17A1CYP1A2IMPDH2
SCHEMBL21461880 0.89 MAPK14 (0.34) HTR6
SCHEMBL21472987 0.86 CDK4 (0.35) CYP1A2HTR6
SCHEMBL21473101 0.83 MEN1 (0.34)
SCHEMBL21473034 0.81 TOP1 (0.33)
SCHEMBL21473102 0.81 TOP1 (0.33)
SCHEMBL21472988 0.81 PRKDC (0.33) MAOB
SCHEMBL21473035 0.80 GABRP (0.32)
SCHEMBL21473107 0.80 PLG (0.33) CDK2TOP2A

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-20190315759-A1 HOST MATERIALS FOR ELECTROLUMINESCENT DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2019-10-17 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-20190315759-A1 HOST MATERIALS FOR ELECTROLUMINESCENT DEVICES OSBP, OSBP2, OSBPL3 TNF 4748/4885DYRK1A 4816/4885CYP17A1 2489/4885

“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.