SCHEMBL298311

SCHEMBL298311

O=C(O)CCc1cccc2[c]cccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
PTGER1 P34995 2/20 0.42
PTGER4 P35408 2/20 0.42
PTGER3 P43115 2/20 0.42
PTGER2 P43116 2/20 0.42
FFAR1 O14842 3/20 0.42
AKR1B1 P15121 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
KEAP1 Q14145 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
FFAR4 Q5NUL3 2/20 0.36
CYP1A2 P05177 1/20 0.36
APEX1 P27695 1/20 0.36
MTNR1A P48039 1/20 0.36
CMA1 P23946 1/20 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
SCHEMBL296005 0.89 MEN1 (0.46) PARP1TDP1MEN1KMT2A
SCHEMBL297548 0.83 TDP1 (0.61) PTGER4AKR1B1TDP1MEN1KMT2A
SCHEMBL5696745 0.80 PARP1 (0.69) PARP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL30307853 0.78 TDP1 (0.67) PARP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL1218835 0.78 TDP1 (0.67) PARP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL1371457 0.76 NQO2 (0.33) CYP1A2MTNR1A
SCHEMBL28054983 0.76 KEAP1 (0.44) PARP1PTGER1PTGER4PTGER3PTGER2
Hydrochloric Acid SCHEMBL11319694 0.76 TDP1 (0.65) PARP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL1371339 0.75 GABRA1 (0.40) TDP1CYP1A2
SCHEMBL1371874 0.73 BCHE (0.36)

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 7 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
EP-1501897-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) 2005-02-02 EP disclosed
WO-2003091345-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) 2003-11-06 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 (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 PARP1 1326/4885PTGER1 1097/4885PTGER4 1675/4885
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 PARP1 2622/4885PTGER1 549/4885PTGER4 1133/4885

“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.