SCHEMBL18180954

SCHEMBL18180954

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)c(-c6ccccn6)c(-c6ccccn6)c5-c5ccccc5)c4)c3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ GRM5 P41594 6/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ TP53 P04637 4/20 0.39
▸ PKM P14618 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ CCR1 P32246 2/20 0.39
▸ CCR5 P51681 2/20 0.39
▸ CCR8 P51685 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ALPL P05186 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL18180958 1.00 KDM4E (0.42) KDM4ETDP1GRM5SMN1; SMN2RAB9A
SCHEMBL18180956 0.97 KDM4E (0.42) KDM4ETDP1GRM5SMN1; SMN2RAB9A
SCHEMBL18180955 0.93 KDM4E (0.41) KDM4ETDP1GRM5SMN1; SMN2RAB9A
SCHEMBL18180844 0.93 KDM4E (0.41) KDM4ETDP1GRM5SMN1; SMN2RAB9A
SCHEMBL18180957 0.92 KDM4E (0.42) KDM4ETDP1GRM5SMN1; SMN2RAB9A
SCHEMBL19497369 0.92 KDM4E (0.42) KDM4ETDP1GRM5SMN1; SMN2RAB9A
SCHEMBL18180980 0.88 GRM5 (0.34) KDM4ETDP1GRM5SMN1; SMN2RAB9A
SCHEMBL18180963 0.87 KDM4E (0.48) KDM4ETDP1GRM5SMN1; SMN2RAB9A
SCHEMBL18180959 0.87 KDM4E (0.48) KDM4ETDP1GRM5SMN1; SMN2RAB9A
SCHEMBL18180950 0.87 KDM4E (0.48) KDM4ETDP1GRM5SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3287505-B1 COMPOUND FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO LTD (KR) 2021-04-28 — — EP disclosed
US-10797245-B2 Compound for organic optoelectronic element, organic optoelectronic element, and display device SAMSUNG SDI CO., LTD. (KR) 2020-10-06 — — US disclosed
US-20170309830-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-10-26 — — US disclosed
US-20170309830-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-10-26 — — US disclosed
WO-2016171358-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2016-10-27 — — WO 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-10797245-B2 Compound for organic optoelectronic element, organic optoelectronic element, and display device OR10J3, OCIAD2, OCIAD1 KDM4E 2563/4885TDP1 4378/4885GRM5 2403/4885
US-20170309830-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE OR10J3, OCIAD2, OCIAD1 KDM4E 2563/4885TDP1 4378/4885GRM5 2403/4885

“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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