SCHEMBL4923792

SCHEMBL4923792

CCCCCCc1cc(O)cc(CCCCCC)c1-c1c(CCCCCC)cc(O)cc1CCCCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.61
ALOX5 P09917 5/20 0.61
CYP3A4 P08684 3/20 0.58
TP53 P04637 2/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.58
TYR P14679 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
GPR84 Q9NQS5 7/20 0.53
ESR1 P03372 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50

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
SCHEMBL6242916 0.91 TYR (0.55) PTGS2ALOX5CYP3A4TP53MEN1
SCHEMBL13862945 0.88 ALOX5 (0.59) PTGS2ALOX5CYP3A4TP53MEN1
SCHEMBL8589832 0.87 PTGS2 (0.71) PTGS2ALOX5CYP3A4TP53MEN1
SCHEMBL127023 0.87 PTGS2 (0.71) PTGS2ALOX5CYP3A4TP53MEN1
SCHEMBL8367626 0.87 PTGS2 (0.71) PTGS2ALOX5CYP3A4TP53MEN1
SCHEMBL8588879 0.87 PTGS2 (0.71) PTGS2ALOX5CYP3A4TP53MEN1
SCHEMBL11333261 0.85 PTGS2 (0.59) PTGS2ALOX5CYP3A4TP53MEN1
SCHEMBL8971610 0.84 ALOX5 (0.70) PTGS2ALOX5CYP3A4TP53MEN1
SCHEMBL8780237 0.83 PTGS2 (0.57) PTGS2ALOX5CYP3A4TP53MEN1
SCHEMBL13862947 0.82 ALOX5 (0.54) PTGS2ALOX5CYP3A4TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917311-B1 Rylene based multiple chromophores BASF SE (DE) 2015-09-23 EP disclosed
US-8501948-B2 Multiple chromophores based on rylene BASF AKTIENGESELLSCHAFT (DE) 2013-08-06 US disclosed
US-20080287678-A1 Multiple Chromophores Based on Rylene BASF AKTIENGESELLSCHAFT (DE) 2008-11-20 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-20080287678-A1 Multiple Chromophores Based on Rylene TDO2, PPOX, NPY1R PTGS2 1464/4885ALOX5 406/4885CYP3A4 189/4885

“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.