SCHEMBL4631076

SCHEMBL4631076

CCCCCC1(CCCCC)c2ccccc2-c2ccc(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 8/20 0.44
APEX1 P27695 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
PTPRC P08575 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR3 P46089 1/20 0.33

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
SCHEMBL989818 0.98 PDK2 (0.43) PDK2APEX1MEN1KMT2AMMP2
SCHEMBL29789010 0.98 PDK2 (0.43) PDK2APEX1MEN1KMT2AMMP2
SCHEMBL27194802 0.98 PDK2 (0.43) PDK2APEX1MEN1KMT2AMMP2
SCHEMBL31531021 0.98 PDK2 (0.43) PDK2APEX1MEN1KMT2AMMP2
SCHEMBL1795297 0.98 PDK2 (0.43) PDK2APEX1MEN1KMT2AMMP2
SCHEMBL23759843 0.98 PDK2 (0.43) PDK2APEX1MEN1KMT2AMMP2
SCHEMBL29466105 0.98 PDK2 (0.43) PDK2APEX1MEN1KMT2AMMP2
SCHEMBL1923129 0.98 PDK2 (0.43) PDK2APEX1MEN1KMT2AMMP2
SCHEMBL24257913 0.96 PDK2 (0.41) PDK2APEX1MEN1KMT2AMMP2
SCHEMBL1547059 0.95 PDK2 (0.45) PDK2APEX1MEN1KMT2APTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12145898-B2 Compound, composition comprising same, and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2024-11-19 US disclosed
US-20210253512-A1 COMPOUND, COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-08-19 US disclosed
CN-112236410-A Compound, composition comprising the same, and organic light emitting diode comprising the same 株式会社LG化学 2021-01-15 CN disclosed
WO-2020060271-A1 COMPOUND, COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-03-26 WO disclosed
WO-2020060271-A1 COMPOUND, COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-03-26 WO disclosed
EP-1520846-B1 Method for producing polymerized hydrocarbon JFE CHEMICAL CORP (JP) 2008-03-05 EP disclosed
US-20070077450-A1 Conjugated compounds containing triarylamine structural elements, and their use LUMINESCENCE TECHNOLOGY CORP. (TW) 2007-04-05 US disclosed
US-7138484-B2 Method for producing polymerized hydrocarbon JFE CHEMICAL CORPORATION (JP) 2006-11-21 US disclosed
US-20050075478-A1 Method for producing polymerized hydrocarbon JFE CHEMICAL CORPORATION (JP) 2005-04-07 US disclosed
EP-1520846-A1 Method for producing polymerized hydrocarbon JFE Chemical Corporation (JP) 2005-04-06 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-12145898-B2 Compound, composition comprising same, and organic light emitting diode comprising same CRY1, SEM1, NOTUM PDK2 2273/4885APEX1 1576/4885MEN1 435/4885
US-20210253512-A1 COMPOUND, COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, SEM1, NOTUM PDK2 2273/4885APEX1 1576/4885MEN1 435/4885
US-20070077450-A1 Conjugated compounds containing triarylamine structural elements, and their use TIMM9, DCX, INMT PDK2 3526/4885APEX1 914/4885MEN1 3199/4885

“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.