SCHEMBL14125124

SCHEMBL14125124

CCCCCCC1(CCCCCC)c2cc(-c3ccc(C)cc3)ccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(-c6ccc(C(F)(F)F)cc6)ccc4-5)c4nsnc34)cc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.38
▸ TLR8 Q9NR97 1/20 0.33
▸ CNR2 P34972 4/20 0.33
▸ TDP2 O95551 1/20 0.32
▸ CNR1 P21554 3/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ P2RY14 Q15391 1/20 0.31
▸ MGAM O43451 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SI P14410 1/20 0.31
▸ MGAM2 Q2M2H8 1/20 0.31
▸ KDM1A O60341 1/20 0.30

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
SCHEMBL14125129 0.88 CNR2 (0.36) PDK2CNR2CNR1
SCHEMBL25444677 0.88 PDK2 (0.35) PDK2TLR8PPARD
SCHEMBL15975348 0.88 PDK2 (0.34) PDK2CNR2CNR1
SCHEMBL13925431 0.87 PDK2 (0.35) PDK2TLR8CNR2CNR1
SCHEMBL15975350 0.86 PDK2 (0.40) PDK2TLR8CNR2TDP2CNR1
SCHEMBL13819051 0.83 CNR1 (0.31) TLR8CNR2CNR1
SCHEMBL13151896 0.83 CNR2 (0.41) CNR2CNR1
SCHEMBL15426047 0.82 CNR1 (0.32) TLR8CNR2CNR1
SCHEMBL1108692 0.82 CNR1 (0.32) TLR8CNR2CNR1
SCHEMBL16020924 0.82 CNR1 (0.32) TLR8CNR2CNR1

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-8816334-B2 N-type materials and organic electronic devices AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-08-26 — — US disclosed
US-20120298976-A1 N-Type Materials And Organic Electronic Devices AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-11-29 — — 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-20120298976-A1 N-Type Materials And Organic Electronic Devices NANS, DPAGT1, PNN PDK2 2356/4885TLR8 4501/4885CNR2 3481/4885

“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.

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