SCHEMBL13443602

SCHEMBL13443602

CC1(C)c2cc(-c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccn5)ccc4c3)ccc2-c2ccc(-c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccn5)ccc4c3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34
▸ TUBB2A Q13885 1/20 0.34
▸ TUBB8 Q3ZCM7 1/20 0.34
▸ TUBA3E Q6PEY2 1/20 0.34
▸ TUBA1A Q71U36 1/20 0.34
▸ TUBA1C Q9BQE3 1/20 0.34
▸ TUBB6 Q9BUF5 1/20 0.34
▸ TUBB2B Q9BVA1 1/20 0.34
▸ TUBB1 Q9H4B7 1/20 0.34
▸ IRAK4 Q9NWZ3 4/20 0.33
▸ MAT2A P31153 2/20 0.32
▸ LMNA P02545 2/20 0.32

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
SCHEMBL13443614 0.95 NPY5R (0.38) NPY5RALDH1A1MAT2ALMNAMEN1
SCHEMBL13443581 0.94 NPY5R (0.37) NPY5RALDH1A1MAT2ALMNAMEN1
SCHEMBL13443588 0.92 NPY5R (0.37) NPY5RALDH1A1MAT2ALMNAMEN1
SCHEMBL13443768 0.91 ALDH1A1 (0.32) NPY5RALDH1A1IRAK4LMNAMEN1
SCHEMBL13443689 0.89 PDK2 (0.34) NPY5RALDH1A1LMNAMEN1KMT2A
SCHEMBL13443772 0.88 NPY5R (0.34) NPY5RALDH1A1LMNAMEN1HPGD
SCHEMBL13443679 0.88 PDK2 (0.35) NPY5RALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL13443620 0.87 NPY5R (0.34) NPY5RALDH1A1KDM4EPDK2NPC1
SCHEMBL12111085 0.86 ALDH1A1 (0.33) NPY5RALDH1A1PDK2
SCHEMBL15868844 0.86 ALDH1A1 (0.33) ALDH1A1IRAK4LMNAMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100066241-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-18 — — US disclosed
US-20100066241-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-18 — — US disclosed
EP-2138551-A2 Fluorene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-12-30 — — EP 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-20100066241-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same IL33, ORMDL3, CCND3 NPY5R 637/4885ALDH1A1 1298/4885TUBB4A 3204/4885

“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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