SCHEMBL2140937

SCHEMBL2140937

c1ccc(-c2cc(-c3cccc4ccccc34)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
MPI P34949 1/20 0.40
TSHR P16473 4/20 0.39
MAPK1 P28482 4/20 0.39
HSD17B10 Q99714 4/20 0.39
TP53 P04637 2/20 0.39
CASP1 P29466 2/20 0.39
HIF1A Q16665 2/20 0.39
CASP7 P55210 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ATM Q13315 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2158220 0.90 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6472955 0.89 KDM4E (0.46) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL24067899 0.88 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL24067718 0.87 KEAP1 (0.41) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL76389 0.87 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL16859291 0.87 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL2734539 0.87 CYP11B1 (0.49) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL17014578 0.86 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL2733767 0.86 PRKCZ (0.48) TNF
SCHEMBL24067840 0.85 CDK4 (0.38) ALDH1A1HPGDKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080220287-A1 White Organic Illuminating Diodes (Oleds) Based on Exciplex Double Blue Fluorescent Compounds BASF SE (DE) 2008-09-11 US claimed
US-7906225-B2 Synthesis of phenyl-substituted fluoranthenes by a diesel-alder and the use thereof BASF AKTIENGESELLSCHAFT (DE) 2011-03-15 US disclosed
US-20080220287-A1 White Organic Illuminating Diodes (Oleds) Based on Exciplex Double Blue Fluorescent Compounds BASF SE (DE) 2008-09-11 US disclosed
EP-1920478-A2 WHITE ORGANIC ILLUMINATING DIODES (OLEDS) BASED ON EXCIPLEX DOUBLE BLUE FLUORESCENT COMPOUNDS BASF SE (DE) 2008-05-14 EP disclosed
EP-1673322-B1 SYNTHESIS OF PHENYL-SUBSTITUTED FLUORANTHENES BY A DIESEL-ALDER REACTION AND THE USE THEREOF BASF SE (DE) 2008-04-16 EP disclosed
WO-2007039344-A2 WHITE ORGANIC ILLUMINATING DIODES (OLEDS) BASED ON EXCIPLEX DOUBLE BLUE FLUORESCENT COMPOUNDS BASF SE (DE) 2007-04-12 WO disclosed
US-20070069198-A1 Synthesis of phenyl-substituted fluoranthenes by a diesel-alder reaction and the use thereof BASF AKTIENGESSLLSCHAFT (DE) 2007-03-29 US disclosed
EP-1673322-A1 SYNTHESIS OF PHENYL-SUBSTITUTED FLUORANTHENES BY A DIESEL-ALDER REACTION AND THE USE THEREOF BASF Aktiengesellschaft (DE) 2006-06-28 EP disclosed
WO-2005033051-A1 SYNTHESIS OF PHENYL-SUBSTITUTED FLUORANTHENES BY A DIESEL-ALDER REACTION AND THE USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2005-04-14 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 (1 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-20070069198-A1 Synthesis of phenyl-substituted fluoranthenes by a diesel-alder reaction and the use thereof OXER1, DRD3, DRD4 ALDH1A1 393/4885HPGD 429/4885KDM4E 1440/4885

“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.