SCHEMBL295703

SCHEMBL295703

O=C(O)c1ccc(-c2cccc3cc[c]cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MCL1 Q07820 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
FOLH1 Q04609 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TTR P02766 1/20 0.39
PPARG P37231 6/20 0.39
PPARA Q07869 6/20 0.39
PPARD Q03181 1/20 0.39
DHODH Q02127 1/20 0.38
POLB P06746 1/20 0.38
CYP2C8 P10632 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2255304 0.82 TNF (0.49) CYP2C9CYP2C19CYP1A2HDAC8HDAC6
SCHEMBL5788498 0.80 HDAC8 (0.68) CYP2C9CYP2C19CYP1A2HDAC8HDAC6
SCHEMBL28931527 0.78 TSHR (0.55) CYP2C9CYP2C19CYP1A2HDAC8HDAC6
SCHEMBL295702 0.77 NR4A1 (0.51) CYP2C9MCL1ACMSDFOLH1KDM4E
SCHEMBL2781984 0.76 ALDH1A1 (0.33) CYP1A2MCL1L3MBTL1POLB
SCHEMBL6633516 0.74 NR4A1 (0.60) HDAC8MCL1ACMSDRXFP1KDM4E
SCHEMBL2267037 0.73 GSTP1 (0.46) HDAC8MCL1ACMSDKDM4E
SCHEMBL28376135 0.73 HDAC8 (0.50) CYP2C9CYP2C19CYP1A2HDAC8HDAC6
SCHEMBL16720071 0.72 TP53 (0.43) HDAC8HDAC6CA12CA9L3MBTL1
SCHEMBL1528162 0.72 PLA2G2D (0.54) CYP2C9CYP2C19CYP1A2HDAC8HDAC6

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 CYP2C9 38/4885CYP2C19 194/4885CYP1A2 339/4885
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 CYP2C9 378/4885CYP2C19 1254/4885CYP1A2 227/4885

“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.