SCHEMBL21862887

SCHEMBL21862887

c1ccc(-c2cc(-c3ccccc3)cc(N3c4cccc5c4B(c4ccc6c(ccc7c8ccccc8ccc67)c43)c3ccc4c(ccc6c7ccccc7ccc46)c3N5c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
HPRT1 P00492 3/20 0.34
HTR6 P50406 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP1A1 P04798 2/20 0.31
CYP1B1 Q16678 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE6D O43924 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
SCHEMBL21863192 0.90 PDE6D (0.39) TDP1HPRT1HTR6CYP1A2CYP2C9
SCHEMBL26357934 0.89 NPC1 (0.33) HPRT1HTR6CYP1A2CYP2C9CYP2C19
SCHEMBL21862888 0.88 HTR6 (0.36) TDP1HPRT1HTR6CYP1A2CYP2C9
SCHEMBL27011766 0.88 HTR6 (0.36) TDP1HPRT1HTR6CYP1A2CYP2C9
SCHEMBL26358816 0.88 HTR6 (0.32) HPRT1HTR6NPC1LMNAMAPT
SCHEMBL26357929 0.88 NPC1 (0.35) HPRT1HTR6NPC1LMNAMAPT
SCHEMBL21863191 0.87 TDP1 (0.41) TDP1HPRT1HTR6CYP1A2CYP2C9
SCHEMBL21863187 0.87 TDP1 (0.41) TDP1HPRT1HTR6CYP1A2CYP2C9
SCHEMBL27011824 0.86 HTR6 (0.36) TDP1HPRT1HTR6CYP1A2CYP2C9
SCHEMBL27011851 0.86 HTR6 (0.36) TDP1HPRT1HTR6CYP1A2CYP2C9

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-20200098991-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-03-26 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-20200098991-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE CRY1, CYBA, CRY2 TDP1 1299/4885HPRT1 813/4885HTR6 4674/4885

“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.