SCHEMBL428648

SCHEMBL428648

Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.41
LIPG Q9Y5X9 8/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
HIF1A Q16665 1/20 0.35
PDK2 Q15119 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
KIF11 P52732 1/20 0.33
CSF1R P07333 1/20 0.32
P4HB P07237 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL16577936 0.97 LIPG (0.42) LPLLIPGESR1ESR2KDM4E
SCHEMBL18723339 0.93 LIPG (0.45) LPLLIPGESR1ESR2PRMT5
SCHEMBL12374409 0.93 LPL (0.39) LPLLIPGPRMT5WDR77HIF1A
SCHEMBL426662 0.92 LPL (0.44) LPLLIPGESR1ESR2KDM4E
SCHEMBL13040457 0.92 LPL (0.44) LPLLIPGESR1ESR2KDM4E
SCHEMBL29892359 0.91 LIPG (0.47) LPLLIPGESR1ESR2KDM4E
SCHEMBL2618788 0.91 LIPG (0.47) LPLLIPGESR1ESR2KDM4E
SCHEMBL17816715 0.91 LPL (0.47) LPLLIPGESR1ESR2KDM4E
SCHEMBL16670290 0.89 LIPG (0.52) LPLLIPGESR1ESR2KDM4E
SCHEMBL23349181 0.88 LIPG (0.45) LPLLIPGESR1ESR2KDM4E

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9876174-B2 Electronic device including a fluoranthene derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2018-01-23 US disclosed
US-9876174-B2 Electronic device including a fluoranthene derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2018-01-23 US disclosed
US-9876174-B2 Electronic device including a fluoranthene derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2018-01-23 US disclosed
US-9716233-B2 Electronic device including a fluoranthene derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2017-07-25 US disclosed
US-9716233-B2 Electronic device including a fluoranthene derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2017-07-25 US disclosed
US-9716233-B2 Electronic device including a fluoranthene derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2017-07-25 US disclosed
US-20170200900-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE LG CHEM, LTD. (KR) 2017-07-13 US disclosed
US-20170200900-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE LG CHEM, LTD. (KR) 2017-07-13 US disclosed
US-20170200900-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE LG CHEM, LTD. (KR) 2017-07-13 US disclosed
US-9617468-B2 Luminescent composition and light-emitting element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-11 US disclosed
US-20130001534-A1 LUMINESCENT COMPOSITION AND LIGHT-EMITTING ELEMENT USING SAID COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-03 US disclosed
US-20120305901-A1 QUINOXALINE DERIVATIVES AND ORGANIC LIGHT-EMITTING DIODES COMPRISING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-12-06 US disclosed
US-20120305901-A1 QUINOXALINE DERIVATIVES AND ORGANIC LIGHT-EMITTING DIODES COMPRISING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-12-06 US disclosed
US-8277957-B2 Quinoxaline derivatives and organic light-emitting diodes comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-10-02 US disclosed
US-8277957-B2 Quinoxaline derivatives and organic light-emitting diodes comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-10-02 US disclosed
US-20120061617-A1 POLYMERS WHICH CONTAIN SUBSTITUTED INDENOFLUORENE DERIVATIVES AS STRUCTURAL UNIT, PROCESS FOR THE PREPARATION THEREOF, AND THE USE THEREOF MERCK PATENT GMBH (DE) 2012-03-15 US disclosed
US-20120061617-A1 POLYMERS WHICH CONTAIN SUBSTITUTED INDENOFLUORENE DERIVATIVES AS STRUCTURAL UNIT, PROCESS FOR THE PREPARATION THEREOF, AND THE USE THEREOF MERCK PATENT GMBH (DE) 2012-03-15 US disclosed
US-20110049495-A1 QUINOXALINE DERIVATIVES AND ORGANIC LIGHT-EMITTING DIODES COMPRISING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2011-03-03 US disclosed
US-20110049495-A1 QUINOXALINE DERIVATIVES AND ORGANIC LIGHT-EMITTING DIODES COMPRISING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2011-03-03 US disclosed
WO-2010136110-A2 POLYMERS COMPRISING SUBSTITUTED INDENOFLUORENE DERIVATES AS STRUCTURAL UNITS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF MERCK PATENT GMBH (DE) 2010-12-02 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 (4 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-20110049495-A1 QUINOXALINE DERIVATIVES AND ORGANIC LIGHT-EMITTING DIODES COMPRISING THE SAME PDXK, PPOX, QDPR LPL 2821/4885LIPG 3841/4885ESR1 1605/4885
US-20120061617-A1 POLYMERS WHICH CONTAIN SUBSTITUTED INDENOFLUORENE DERIVATIVES AS STRUCTURAL UNIT, PROCESS FOR THE PREPARATION THEREOF, AND THE USE THEREOF PPID, PCID2, OCIAD1 LPL 835/4885LIPG 1166/4885ESR1 805/4885
US-20170200900-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE AR, CCND3, ESRRA LPL 4074/4885LIPG 4768/4885ESR1 17/4885
US-20120305901-A1 QUINOXALINE DERIVATIVES AND ORGANIC LIGHT-EMITTING DIODES COMPRISING THE SAME PDXK, NDUFV1, NDUFV2 LPL 2102/4885LIPG 3236/4885ESR1 1467/4885

“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.