SCHEMBL322572

SCHEMBL322572

CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(B(O)O)ccc4c3)cc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
PDK2 Q15119 15/20 0.39
MGLL Q99685 2/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL18419411 0.96 CA1 (0.46) CA1CA2PDK2MGLL
SCHEMBL13388829 0.91 PDK2 (0.41) CA1CA2PDK2MGLL
SCHEMBL14508331 0.91 PDK2 (0.41) CA1CA2PDK2MGLL
SCHEMBL2472512 0.90 CA1 (0.53) CA1CA2PDK2MGLLSLC6A2
SCHEMBL29851086 0.88 MGLL (0.47) CA1CA2PDK2MGLL
SCHEMBL13599937 0.88 MGLL (0.47) CA1CA2PDK2MGLL
SCHEMBL2965864 0.87 PDK2 (0.43) PDK2SLC6A2SLC6A4SLC6A3
SCHEMBL29603601 0.86 MGLL (0.53) CA1CA2PDK2MGLL
SCHEMBL10042457 0.86 MGLL (0.53) CA1CA2PDK2MGLL
SCHEMBL30038715 0.86 MGLL (0.53) CA1CA2PDK2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10964892-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-03-30 US disclosed
EP-2713415-B1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO (JP) 2018-12-19 EP disclosed
US-20170098777-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2017-04-06 US disclosed
EP-3127901-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2017-02-08 EP disclosed
US-8941099-B2 Organic light emitting device and materials for use in same UNIVERSAL DISPLAY CORPORATION (US) 2015-01-27 US disclosed
US-8940412-B2 Material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2015-01-27 US disclosed
US-20130126832-A1 ORGANIC LIGHT EMITTING DEVICE AND MATERIALS FOR USE IN SAME UNIVERSAL DISPLAY CORPORATION (US) 2013-05-23 US disclosed
WO-2012005724-A1 HOST MATERIAL FOR ORGANIC LIGHT EMITTING DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2012-01-12 WO disclosed
US-20110315965-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-12-29 US disclosed
CN-102265424-A Material for organic electroluminescent element and organic electroluminescent element 2011-11-30 CN disclosed
EP-2372803-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT Idemitsu Kosan Co., Ltd. (JP) 2011-10-05 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 (3 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-10964892-B2 Heterocyclic compound and organic light-emitting device comprising same CRY1, CRY2, PER2 CA1 3482/4885CA2 3988/4885PDK2 2456/4885
US-20110315965-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT LEF1, TERF2, BPTF CA1 2309/4885CA2 2843/4885PDK2 1503/4885
US-20170098777-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CRY2, PER2 CA1 3482/4885CA2 3988/4885PDK2 2456/4885

“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.