SCHEMBL2140658

SCHEMBL2140658

CCCCCCCCc1cc2cccc3c2c(c1-c1c2ccccc2c(-c2c(CCCCCCCC)cc4cccc5c4c2-c2c-5ccc(-c4ccccc4)c2-c2ccccc2)c2ccccc12)-c1c-3ccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.38
TLR8 Q9NR97 4/20 0.38
CNR1 P21554 2/20 0.37
ESR1 P03372 6/20 0.37
ESR2 Q92731 5/20 0.37
GCGR P47871 2/20 0.35
GPR3 P46089 1/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33

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
SCHEMBL4668585 0.89 ESR1 (0.37) DHFRTLR8CNR1ESR1ESR2
SCHEMBL2138002 0.80 CES1 (0.43) ESR1ESR2MAPTKDM4EALDH1A1
SCHEMBL15229930 0.76 ESR1 (0.41) DHFRTLR8ESR1ESR2GCGR
SCHEMBL16896253 0.76 ESR1 (0.41) DHFRTLR8ESR1ESR2GCGR
SCHEMBL5010999 0.74 TLR8 (0.41) TLR8CNR1MAPTALDH1A1HPGD
SCHEMBL28312230 0.74 TLR8 (0.49) DHFRTLR8ESR1ESR2MAPT
SCHEMBL4538271 0.74 TLR8 (0.49) DHFRTLR8ESR1ESR2MAPT
SCHEMBL28211818 0.74 TLR8 (0.49) DHFRTLR8ESR1ESR2MAPT
SCHEMBL9715333 0.73 DHFR (0.49) DHFRGCGRGPR3ELANECTSG
SCHEMBL28521138 0.73 DHFR (0.49) DHFRGCGRGPR3MAPTCYP3A4

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 DHFR 598/4885TLR8 1263/4885CNR1 928/4885

“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.