SCHEMBL2138002

SCHEMBL2138002

c1ccc(-c2ccc3c(c2-c2ccccc2)-c2c(-c4c5ccccc5c(-c5c(-c6ccccc6)cc6cccc7c6c5-c5c-7ccc(-c6ccccc6)c5-c5ccccc5)c5ccccc45)c(-c4ccccc4)cc4cccc-3c24)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
TSHR P16473 3/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CASP1 P29466 2/20 0.41
HIF1A Q16665 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALOX5 P09917 1/20 0.38
TP53 P04637 1/20 0.38
CASP7 P55210 1/20 0.38
RECQL P46063 1/20 0.38
GPR84 Q9NQS5 2/20 0.36
MAPT P10636 1/20 0.36
MPI P34949 1/20 0.36
ENPP1 P22413 2/20 0.35

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
SCHEMBL4939013 0.88 CES1 (0.46) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL27680873 0.86 CES1 (0.42) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL29268744 0.85 CES1 (0.44) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL4667935 0.84 CES1 (0.40) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL30103712 0.81 CES1 (0.45) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL1923716 0.80 ALDH1A1 (0.45) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL2140658 0.80 DHFR (0.38) CES1ALDH1A1HPGDHSD17B10CASP1
SCHEMBL2346874 0.79 ALDH1A1 (0.53) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL14150465 0.78 CES1 (0.40) CES1ALDH1A1HPGDTSHRMAPK1
SCHEMBL9995293 0.76 CES1 (0.58) CES1ALDH1A1HPGDTSHRMAPK1

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 5 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-1673322-B1 SYNTHESIS OF PHENYL-SUBSTITUTED FLUORANTHENES BY A DIESEL-ALDER REACTION AND THE USE THEREOF BASF SE (DE) 2008-04-16 EP 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

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 CES1 695/4885ALDH1A1 393/4885HPGD 429/4885

“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.