SCHEMBL245496

SCHEMBL245496

CC1C=C(c2ccccn2)CCC1.CC1C=C(c2ccccn2)CCC1.CC1C=C(c2ccccn2)CCC1.[Ir]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
LMNA P02545 3/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
CYP1A2 P05177 2/20 0.41
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
TP53 P04637 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
CHRM2 P08172 1/20 0.36

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
SCHEMBL30428092 0.98 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17721307 0.98 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL10426369 0.75 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL13362187 0.72 CHRNB2 (0.39) CYP2C19
SCHEMBL13362186 0.72 CHRNB2 (0.39) CYP2C19
SCHEMBL16272018 0.71 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL17667429 0.70 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL245713 0.69 TDP1 (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17146950 0.69 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17677196 0.69 TP53 (0.40) KDM4ELMNACCR1CCR5CCR8

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-8512881-B2 Organic material and organic light emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-08-20 US disclosed
US-20120007495-A1 ORGANIC MATERIAL AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-01-12 US disclosed
EP-2404976-A2 Organic material and organic light emitting device including the same Samsung Mobile Display Co., Ltd. (KR) 2012-01-11 EP disclosed
US-20120001157-A1 ORGANIC MATERIAL AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-01-05 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 (2 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-20120007495-A1 ORGANIC MATERIAL AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME OCIAD1, OLA1, OPRM1 KDM4E 1648/4885LMNA 3698/4885CCR1 537/4885
US-20120001157-A1 ORGANIC MATERIAL AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CYBA, AOC3, AOX1 KDM4E 2858/4885LMNA 2677/4885CCR1 526/4885

“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.