SCHEMBL2138799

SCHEMBL2138799

CCCCCCCCCc1c(CCCCCCCC)c(-c2ccccc2)c2c(c1-c1ccccc1)-c1cccc3cccc-2c13

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.47
DHFR P00374 1/20 0.45
KCNH2 Q12809 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
DCTPP1 Q9H773 1/20 0.39
SOAT1 P35610 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
HSD11B1 P28845 1/20 0.38
CNR1 P21554 2/20 0.38
TLR8 Q9NR97 2/20 0.37
ALDH1A1 P00352 2/20 0.36
PTPN1 P18031 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL2784607 0.94 DCTPP1 (0.43) GCGRDHFRGPR84DCTPP1SOAT1
SCHEMBL728847 0.87 KCNH2 (0.37) GCGRDHFRKCNH2TDP1CNR1
SCHEMBL732541 0.85 GCGR (0.37) GCGRDHFRKCNH2TDP1HSD11B1
SCHEMBL28111153 0.79 GCGR (0.58) GCGRDHFRKCNH2GPR84HSD11B1
SCHEMBL6512533 0.79 GCGR (0.54) GCGRDHFRKCNH2GPR84HSD11B1
SCHEMBL22806813 0.77 GCGR (0.47) GCGRDHFRKCNH2GPR84DCTPP1
SCHEMBL27689279 0.76 GCGR (0.42) GCGRDHFRKCNH2GPR84DCTPP1
SCHEMBL5555116 0.76 GCGR (0.50) GCGRKCNH2GPR84SOAT1HSD11B1
SCHEMBL728651 0.75 RAB9A (0.41) HSD11B1ALDH1A1KDM4EGAAMAPT
SCHEMBL27876741 0.75 GCGR (0.49) GCGRDHFRGPR84DCTPP1HSD11B1

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 GCGR 332/4885DHFR 598/4885KCNH2 734/4885

“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.