SCHEMBL9976752

SCHEMBL9976752

c1ccc(-c2ccc(-c3cc4c(cc(-c5ccc(-c6ccccc6)cc5)c5cccnc54)c4ncccc34)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.49
CKS1B P61024 4/20 0.47
SKP2 Q13309 4/20 0.47
GLO1 Q04760 2/20 0.47
PIK3CD O00329 1/20 0.46
COMT P21964 1/20 0.45
PIK3CA P42336 1/20 0.41
CCR1 P32246 2/20 0.41
CCR8 P51685 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MMP2 P08253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL9976763 0.84 CYP17A1 (0.45) TOP1PIK3CDCOMTCCR1CCR8
SCHEMBL17264581 0.84 CKS1B (0.49) TOP1CKS1BSKP2GLO1PIK3CD
SCHEMBL9976735 0.82 TOP1 (0.42) TOP1CKS1BSKP2GLO1PIK3CD
SCHEMBL913533 0.81 CCR1 (0.58) TOP1CKS1BSKP2GLO1PIK3CD
SCHEMBL29441295 0.81 CCR1 (0.58) TOP1CKS1BSKP2GLO1PIK3CD
SCHEMBL9976748 0.81 CCR1 (0.48) PIK3CDCCR1CCR8L3MBTL1MMP2
SCHEMBL14478630 0.81 TOP1 (0.45) TOP1CKS1BSKP2GLO1PIK3CD
SCHEMBL12761837 0.80 TOP1 (0.45) TOP1CKS1BSKP2GLO1CCR1
SCHEMBL20726711 0.80 CCR1 (0.49) TOP1CKS1BSKP2GLO1PIK3CD
SCHEMBL12830771 0.80 TOP1 (0.35) TOP1CKS1BSKP2GLO1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877354-B2 Heterocyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-11-04 US disclosed
US-8877354-B2 Heterocyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-11-04 US disclosed
US-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-06-21 US disclosed
US-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-06-21 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-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME ORC3, CYP1A1, CRY1 TOP1 1962/4885CKS1B 1625/4885SKP2 1820/4885

“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.