SCHEMBL295702

SCHEMBL295702

O=C(O)c1ccccc1-c1cccc2cc[c]cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
CDC25B P30305 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SOS1 Q07889 2/20 0.44
MCL1 Q07820 4/20 0.43
BAD Q92934 3/20 0.43
MYC P01106 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ACMSD Q8TDX5 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
WDR5 P61964 1/20 0.41
LDHA P00338 1/20 0.40

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
SCHEMBL6633516 0.85 NR4A1 (0.60) NR4A1NR4A2NR4A3CDC25BHSD17B10
SCHEMBL1641502 0.81 NR4A1 (0.70) NR4A1NR4A2NR4A3CDC25BHSD17B10
SCHEMBL2781984 0.81 ALDH1A1 (0.33) HSD17B10MCL1CYP3A4ALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL11705221 0.80 NR4A1 (0.68) NR4A1NR4A2NR4A3CDC25BHSD17B10
SCHEMBL2271084 0.79 ALDH1A1 (0.39) HSD17B10CYP3A4ALDH1A1KDM4EHPGD
SCHEMBL18539204 0.77 NR4A1 (0.61) NR4A1NR4A2NR4A3CDC25BHSD17B10
SCHEMBL295703 0.77 CYP2C9 (0.47) MCL1ACMSDCYP2C9KDM4EFOLH1
SCHEMBL28459499 0.77 SOS1 (0.65) NR4A1NR4A2NR4A3CDC25BHSD17B10
SCHEMBL2255304 0.76 TNF (0.49) HSD17B10MCL1MEN1KMT2AACMSD
SCHEMBL16719613 0.76 ALDH1A1 (0.47) HSD17B10MYCKMT2AACMSDCYP3A4

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 NR4A1 934/4885NR4A2 1419/4885NR4A3 1546/4885
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 NR4A1 28/4885NR4A2 20/4885NR4A3 48/4885

“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.