SCHEMBL8736348

SCHEMBL8736348

CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-n4c5ccccc5c5ccccc54)c3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
PTGER4 P35408 1/20 0.39
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
GRIA1 P42261 1/20 0.36
CACNG8 Q8WXS5 1/20 0.36
CACNG2 Q9Y698 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATR Q13535 1/20 0.35
ALDH1A1 P00352 6/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PRKACA P17612 1/20 0.34
RPS6KB1 P23443 1/20 0.34
GSK3B P49841 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
SCHEMBL12114844 0.99 RECQL (0.39) RECQLESR1ESR2PTGER4HTT
SCHEMBL12114842 0.96 ESR1 (0.40) RECQLESR1ESR2PTGER4HTT
SCHEMBL12114841 0.96 ESR1 (0.41) RECQLESR1ESR2PTGER4HTT
SCHEMBL19194421 0.91 ESR1 (0.39) RECQLESR1ESR2PTGER4HTT
SCHEMBL24570626 0.91 ESR1 (0.45) RECQLESR1ESR2PTGER4HTT
SCHEMBL12114845 0.90 RECQL (0.41) RECQLESR1ESR2PTGER4HTT
SCHEMBL12114850 0.89 RECQL (0.40) RECQLESR1ESR2PTGER4HTT
SCHEMBL24570824 0.88 ESR1 (0.47) RECQLESR1ESR2PTGER4HTT
SCHEMBL14769556 0.86 ESR1 (0.41) RECQLESR1ESR2PTGER4HTT
SCHEMBL12114849 0.86 ESR1 (0.41) RECQLESR1ESR2PTGER4HTT

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-9530970-B2 Benzimidazole compound, organic photoelectric device including the same, and display element including the same CHEIL INDUSTRIES, INC. (KR) 2016-12-27 US disclosed
US-9530970-B2 Benzimidazole compound, organic photoelectric device including the same, and display element including the same CHEIL INDUSTRIES, INC. (KR) 2016-12-27 US disclosed
US-9266851-B2 Fluorene-containing aromatic compound, material for organic electroluminescent element, and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2016-02-23 US disclosed
US-9266851-B2 Fluorene-containing aromatic compound, material for organic electroluminescent element, and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2016-02-23 US disclosed
US-20130256641-A1 BENZIMIDAZOLE COMPOUND, ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY ELEMENT INCLUDING THE SAME CHEIL INDUSTRIES, INC. (KR) 2013-10-03 US disclosed
US-20130256641-A1 BENZIMIDAZOLE COMPOUND, ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY ELEMENT INCLUDING THE SAME CHEIL INDUSTRIES, INC. (KR) 2013-10-03 US disclosed
US-20120126217-A1 FLUORENE-CONTAINING AROMATIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO. LTD. (JP) 2012-05-24 US disclosed
US-20120126217-A1 FLUORENE-CONTAINING AROMATIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO. LTD. (JP) 2012-05-24 US disclosed
US-20110272676-A1 BENZIMIDAZOLE COMPOUND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY ELEMENT INCLUDING THE SAME CHEIL INDUSTRIES, INC. (KR) 2011-11-10 US disclosed
US-20110272676-A1 BENZIMIDAZOLE COMPOUND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY ELEMENT INCLUDING THE SAME CHEIL INDUSTRIES, INC. (KR) 2011-11-10 US 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-20110272676-A1 BENZIMIDAZOLE COMPOUND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY ELEMENT INCLUDING THE SAME CYP2C19, BMI1, CDKN1A RECQL 1743/4885ESR1 459/4885ESR2 2990/4885
US-20120126217-A1 FLUORENE-CONTAINING AROMATIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME NR0B2, AFF2, AFF1 RECQL 4283/4885ESR1 50/4885ESR2 21/4885

“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.