SCHEMBL10054054

SCHEMBL10054054

Brc1cc2c(-c3ccccc3)c3sc(Br)cc3c(-c3ccccc3)c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.36
MAPT P10636 3/20 0.35
MAPK1 P28482 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
PTP4A3 O75365 1/20 0.33
PTP4A2 Q12974 1/20 0.33
PTP4A1 Q93096 1/20 0.33
TYMP P19971 1/20 0.32
ALOX5 P09917 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
ACHE P22303 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL20240244 0.88 ALOX5 (0.34) EGFRALOX5
SCHEMBL10054157 0.80 CYP2A6 (0.39) MAPTKDM4EALDH1A1ALOX5ESR1
SCHEMBL232342 0.80 ALDH1A1 (0.39) MAPTMAPK1L3MBTL1KDM4EALDH1A1
SCHEMBL20248867 0.78 PTP4A3 (0.49) MAPTKDM4EALDH1A1LMNAPTP4A3
SCHEMBL14964002 0.75 CHEK1 (0.38) MAPTMAPK1L3MBTL1KDM4EALDH1A1
SCHEMBL10028812 0.73 GPR3 (0.36) EGFRMAPTALDH1A1RAB9A
SCHEMBL19267451 0.72 PTP4A3 (0.38) MAPTKDM4EALDH1A1LMNAPTP4A3
SCHEMBL10054142 0.72 DHFR (0.37) MAPK1L3MBTL1KDM4EALDH1A1TYMP
SCHEMBL14603456 0.71 EGFR (0.35) EGFRMAPT
SCHEMBL30507470 0.71 EGFR (0.35) EGFRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10347846-B2 Organic compound for organic EL device and using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2019-07-09 US disclosed
US-20180166640-A1 ORGANIC COMPOUND FOR ORGANIC EL DEVICE AND USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2018-06-14 US disclosed
US-20180166640-A1 ORGANIC COMPOUND FOR ORGANIC EL DEVICE AND USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2018-06-14 US disclosed
US-9394406-B2 Polymers containing substituted benzodithiophene units, blends comprising these polymers, and devices comprising these polymers or blends MERCK PATENT GMBH (DE) 2016-07-19 US disclosed
US-9394406-B2 Polymers containing substituted benzodithiophene units, blends comprising these polymers, and devices comprising these polymers or blends MERCK PATENT GMBH (DE) 2016-07-19 US disclosed
US-9112157-B2 Hole transport materials including OLED applications SOLVAY USA, INC. (US) 2015-08-18 US disclosed
US-9112157-B2 Hole transport materials including OLED applications SOLVAY USA, INC. (US) 2015-08-18 US disclosed
EP-2850668-A2 HOLE TRANSPORT MATERIALS INCLUDING OLED APPLICATIONS Solvay USA Inc. (US) 2015-03-25 EP disclosed
WO-2013173396-A2 HOLE TRANSPORT MATERIALS INCLUDING OLED APPLICATIONS PLEXTRONICS, INC. (US) 2013-11-21 WO disclosed
US-20130126855-A1 POLYMERS CONTAINING SUBSTITUTED BENZODITHIOPHENE UNITS, BLENDS COMPRISING THESE POLYMERS, AND DEVICES COMPRISING THESE POLYMERS OR BLENDS MERCK PATENT GMBH (DE) 2013-05-23 US disclosed
US-20130126855-A1 POLYMERS CONTAINING SUBSTITUTED BENZODITHIOPHENE UNITS, BLENDS COMPRISING THESE POLYMERS, AND DEVICES COMPRISING THESE POLYMERS OR BLENDS MERCK PATENT GMBH (DE) 2013-05-23 US disclosed
WO-2012013310-A1 POLYMERS CONTAINING SUBSTITUTED BENZODITHIOPHENE UNITS, BLENDS CONTAINING SAID POLYMERS, AND DEVICES CONTAINING SAID POLYMERS OR BLENDS MERCK PATENT GMBH (DE) 2012-02-02 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 (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-10347846-B2 Organic compound for organic EL device and using the same L1CAM, ESR1, XPO4 EGFR 1934/4885MAPT 1852/4885MAPK1 2517/4885
US-20180166640-A1 ORGANIC COMPOUND FOR ORGANIC EL DEVICE AND USING THE SAME L1CAM, ESR1, XPO4 EGFR 1934/4885MAPT 1852/4885MAPK1 2517/4885

“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.