SCHEMBL297763

SCHEMBL297763

CC(C(=O)O)c1cccc2cc[c]cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.38
CXCL8 P10145 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
PTGS2 P35354 4/20 0.37
PTGER4 P35408 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
MMP16 P51512 1/20 0.35
PTGS1 P23219 2/20 0.35
PPARG P37231 4/20 0.34
PPARA Q07869 4/20 0.34
ALOX5 P09917 1/20 0.34
SSTR4 P31391 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL8120419 0.80 AKR1B1 (0.51) AKR1B1CXCL8AKR1C3AKR1C2PTGS2
SCHEMBL15641295 0.80 AKR1B1 (0.51) AKR1B1CXCL8AKR1C3AKR1C2PTGS2
SCHEMBL448107 0.80 AKR1B1 (0.51) AKR1B1CXCL8AKR1C3AKR1C2PTGS2
SCHEMBL20719348 0.80 GABRA1 (0.39) PTGS1ALDH1A1
SCHEMBL297620 0.79 PPARG (0.35) PPARGPPARAALDH1A1
SCHEMBL27890998 0.78 AKR1B1 (0.50) AKR1B1CXCL8AKR1C3AKR1C2PTGS2
SCHEMBL8758463 0.77 CYP1A2 (0.43) ALOX5ALDH1A1METAP2METAP1
SCHEMBL8758771 0.74 SSTR4 (0.35) SSTR4
SCHEMBL8758494 0.74 MEN1 (0.36)
SCHEMBL287512 0.73 MCL1 (0.46) AKR1B1CXCL8AKR1C3AKR1C2PTGS2

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
EP-1501897-B1 METHOD FOR THE PRODUCTION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIIMIDES AND PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIANHYDRIDE AND NAPHTALENE-1,8-DICARBOXYLIMIDES BASF SE (DE) 2012-03-14 EP disclosed
US-7807836-B2 Preparation of perylen-3,4:9,10-tetracarboxylic dianhydride and also of naphtalene-1,8-dicarboximides BASF AKTIENGESELLSCHAFT (DE) 2010-10-05 US disclosed
US-20080161569-A1 PREPARATION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC DIANHYDRIDE AND ALSO OF NAPHTALENE-1,8-DICARBOXIMIDES BASF AKTIENGESELLSCHAFT (DE) 2008-07-03 US disclosed
US-7393956-B2 Method for the production of perylen-3,4:9,10-tetracarboxylic acid diimides and perylen-3,4:9,10-tetracarboxylic acid dianhydride and naphtalene-1,8-dicarboxylimides BASF AKTIENGESELLSCHAFT (DE) 2008-07-01 US disclosed
US-20050131220-A1 Method for the production of perylen-3,4:9,10-tetracarboxylic acid diimides and perylen-3,4:9,10-tetracarboxylic acid dianhydride and naphtalene-1,8-dicarboxylimides BASF AKTIENGESELLSCHAFT (DE) 2005-06-16 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 (2 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-20080161569-A1 PREPARATION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC DIANHYDRIDE AND ALSO OF NAPHTALENE-1,8-DICARBOXIMIDES CLIC1, PNPO, CLIC4 AKR1B1 205/4885CXCL8 1134/4885AKR1C3 33/4885
US-20050131220-A1 Method for the production of perylen-3,4:9,10-tetracarboxylic acid diimides and perylen-3,4:9,10-tetracarboxylic acid dianhydride and naphtalene-1,8-dicarboxylimides CBR1, CBR3, SCO2 AKR1B1 493/4885CXCL8 2667/4885AKR1C3 85/4885

“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.