SCHEMBL2261886

SCHEMBL2261886

Brc1ccc2c(c1)-c1cccc3c(Br)ccc-2c13

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
PTPRC P08575 1/20 0.50
HKDC1 Q2TB90 1/20 0.49
S100A4 P26447 1/20 0.47
CYP1B1 Q16678 11/20 0.46
BCL2 P10415 1/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL29485718 1.00 CYP1A2 (0.50) CYP1A2PTPRCHKDC1S100A4CYP1B1
Fluoranthene SCHEMBL27657669 0.92 CYP1A2 (0.51) CYP1A2PTPRCHKDC1S100A4CYP1B1
SCHEMBL27657670 0.92 CYP1A2 (0.51) CYP1A2PTPRCHKDC1S100A4CYP1B1
SCHEMBL2800725 0.88 BCL2 (0.63) CYP1A2PTPRCHKDC1S100A4CYP1B1
SCHEMBL663504 0.86 CYP1A2 (0.63) CYP1A2HKDC1CYP1B1ALDH1A1POLB
SCHEMBL30345509 0.86 CYP1A2 (0.63) CYP1A2HKDC1CYP1B1ALDH1A1POLB
SCHEMBL2198488 0.81 CYP1A2 (0.59) CYP1A2HKDC1CYP1B1ALDH1A1POLB
SCHEMBL30990840 0.81 CYP1A2 (0.59) CYP1A2HKDC1CYP1B1ALDH1A1POLB
SCHEMBL21368368 0.80 MAPK1 (0.50) CYP1A2PTPRCHKDC1S100A4BCL2
SCHEMBL28244149 0.78 HKDC1 (0.50) CYP1A2PTPRCHKDC1S100A4CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10622569-B2 Compound, organic electroluminescent element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2020-04-14 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-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-7488856-B2 Compounds based on fluoranthene and use thereof BASF AKTIENGESELLSCHAFT (DE) 2009-02-10 US disclosed
WO-2007126112-A1 FLUORANTHENE DERIVATIVE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2007-11-08 WO disclosed
WO-2007125976-A1 COMPOUND AND ORGANIC EL DEVICE CANON KABUSHIKI KAISHA (JP) 2007-11-08 WO disclosed
EP-1345477-B1 Polymers based on fluoranthene and the use thereof BASF AG (DE) 2007-04-25 EP disclosed
EP-1138745-B1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO (JP) 2007-03-28 EP disclosed
US-20070063189-A1 Compounds based on fluoranthene and use thereof BASF AKTIENGESELLSCHAFT (DE) 2007-03-22 US disclosed
US-20070003788-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2007-01-04 US disclosed
US-20070003788-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2007-01-04 US disclosed
EP-1663919-A2 COMPOUNDS BASED ON FLUORANTHENE AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2006-06-07 EP disclosed
WO-2005026088-A2 COMPOUNDS BASED ON FLUORANTHENE AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2005-03-24 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-10622569-B2 Compound, organic electroluminescent element, and electronic device EFNA1, L1CAM, LEF1 CYP1A2 361/4885PTPRC 2503/4885HKDC1 4024/4885
US-20170200900-A1 ELECTRONIC DEVICE INCLUDING A FLUORANTHENE DERIVATIVE AR, CCND3, ESRRA CYP1A2 662/4885PTPRC 4390/4885HKDC1 3026/4885

“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.