SCHEMBL3167405

SCHEMBL3167405

[C]#CC(CCCC)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
MAPK1 P28482 1/20 0.48
GPR84 Q9NQS5 7/20 0.47
FFAR1 O14842 2/20 0.47
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 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
SCHEMBL3167000 0.94 GPR84 (0.55) CA2MAPK1GPR84FFAR1SLC1A2
SCHEMBL3166745 0.92 GPR84 (0.59) GPR84FFAR1SLC1A2SLC1A1MAPT
SCHEMBL3160912 0.92 GPR84 (0.59) GPR84FFAR1SLC1A2SLC1A1MAPT
SCHEMBL3169903 0.86
SCHEMBL1401236 0.80 CA2 (0.50) CA2MAPK1GPR84FFAR1SLC1A3
SCHEMBL316535 0.78 CA2 (0.48) CA2MAPK1GPR84FFAR1SLC1A3
SCHEMBL966443 0.77
SCHEMBL6539103 0.74 MAPT (0.55) CA2MAPK1GPR84FFAR1SLC1A2
SCHEMBL23829652 0.72 GPR84 (0.50) CA2MAPK1GPR84FFAR1SLC1A2
SCHEMBL4002470 0.72 MAPT (0.59) CA2GPR84FFAR1SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100011656-A1 USE OF RYLENES AS MARKERS FOR LIQUIDS BASF SE (DE) 2010-01-21 US disclosed
US-20090124732-A1 Rylene Tetracarboxylic Acid Diimides Substituted By Cyclic Amino Groups BASF AKTIENGESELLSCHAFT (DE) 2009-05-14 US disclosed
US-7521556-B2 1,6,9,14-tetrasubstituted terrylene tetracarboxylic acid diimides BASF SE (DE) 2009-04-21 US disclosed
US-20050222416-A1 1,6,9,14-teltrasubstituted terrylene tetracarboxylic diimides BASF AKTIENGESELLSCHAFT (DE) 2005-10-06 US disclosed
US-6184378-B1 PIGMENTS, LASER DYES AND PRECURSORS FOR PREPARING FLUORESCENT DYES, POLYMERIC COLORANTS, BASF AKTIENGESELLSCHAFT (DE) 2001-02-06 US disclosed
US-6063181-A 1,7-disubstituted perylene-3,4,9, 10-tetracarboxylic acids, their dianhydrides and diimides of said acids BASF AKTIENGESELLSCHAFT (DE) 2000-05-16 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 (3 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-20090124732-A1 Rylene Tetracarboxylic Acid Diimides Substituted By Cyclic Amino Groups NR1I3, NR1I2, NR1H3 CA2 1578/4885MAPK1 2308/4885GPR84 535/4885
US-20050222416-A1 1,6,9,14-teltrasubstituted terrylene tetracarboxylic diimides CNR2, CNR1, CBR1 CA2 974/4885MAPK1 3033/4885GPR84 259/4885
US-20100011656-A1 USE OF RYLENES AS MARKERS FOR LIQUIDS RPL22, PROX1, RPL29 CA2 2525/4885MAPK1 2357/4885GPR84 2433/4885

“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.