SCHEMBL13063834

SCHEMBL13063834

C1=CCCC(c2ccccn2)=C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
LMNA P02545 3/20 0.46
CCR1 P32246 3/20 0.46
CCR5 P51681 3/20 0.46
CCR8 P51685 3/20 0.46
CYP1A2 P05177 2/20 0.46
POLB P06746 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
NPC1 O15118 7/20 0.41
TP53 P04637 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 2/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL2460160 0.81 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL8902116 0.78 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL13820689 0.77 KDM4E (0.39) KDM4ELMNACYP1A2METAP1NPC1
SCHEMBL21546190 0.74 KDM4E (0.39) KDM4ELMNAHIF1ANPC1TP53
SCHEMBL28326388 0.74 NISCH (0.37) CYP1A2ALDH1A1HSP90AA1NISCH
SCHEMBL26486847 0.74 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL22068581 0.74 HPGDS (0.44)
SCHEMBL23640992 0.73 RAB9A (0.38) KDM4ELMNANPC1TP53RAB9A
SCHEMBL23280061 0.72 ASIC3 (0.41)
SCHEMBL18849413 0.71 CCR1 (0.50) CCR1CCR5CCR8CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3722301-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2023-11-01 EP disclosed
EP-3476856-B1 METHOD FOR PRODUCING HALOGEN-CROSSLINKED IRIDIUM DIMER AIST (JP) 2023-09-27 EP disclosed
US-20230057590-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2023-02-23 US disclosed
EP-2665105-B1 ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEM CORP (JP) 2021-12-01 EP disclosed
EP-3440155-B1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2021-02-24 EP disclosed
EP-3722301-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-10-14 EP disclosed
US-10787435-B2 ASK1 inhibitor and preparation method and use thereof Fuijan Cosunter Pharmaceutical Co. Ltd. (CN) 2020-09-29 US disclosed
EP-3476856-A1 METHOD FOR PRODUCING HALOGEN-CROSSLINKED IRIDIUM DIMER National Institute of Advanced Industrial Science and Technology (JP) 2019-05-01 EP disclosed
WO-2018131866-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2018-07-19 WO disclosed
WO-2015012618-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-01-29 WO disclosed
EP-2592671-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT DEVICE, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING Mitsubishi Chemical Corporation (JP) 2013-05-15 EP disclosed
US-8318498-B2 Luminescent protein staining THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2012-11-27 US disclosed
US-8318498-B2 Luminescent protein staining THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2012-11-27 US disclosed
EP-2249411-A1 LAYERED STRUCTURE Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20090093060-A1 Luminescent Protein Staining THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-04-09 US disclosed
US-20090093060-A1 Luminescent Protein Staining THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-04-09 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-10787435-B2 ASK1 inhibitor and preparation method and use thereof MARK1, MAP3K1, MAP3K20 KDM4E 2985/4885LMNA 2221/4885CCR1 2119/4885
US-20230057590-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OXER1 KDM4E 655/4885LMNA 4317/4885CCR1 3521/4885

“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.