SCHEMBL3723970

SCHEMBL3723970

O=C(O)c1ccc2c3c(Br)cc(C(=O)O)c4c(C(=O)O)cc(Br)c(c5ccc(C(=O)O)c1c25)c43

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
KDM4E B2RXH2 2/20 0.37
AKR1C4 P17516 2/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
AKR1C1 Q04828 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
GLA P06280 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
TSHR P16473 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL27725966 0.95 CYP1A2 (0.50) CYP1A2KDM4EAKR1C4AKR1C3AKR1C2
SCHEMBL148218 0.94 CYP1A2 (0.54) CYP1A2KDM4EAKR1C4AKR1C3AKR1C2
SCHEMBL31336416 0.90 CYP1A2 (0.45) CYP1A2KDM4EAKR1C4AKR1C3AKR1C2
SCHEMBL27752313 0.86 CYP1A2 (0.45) CYP1A2KDM4EAKR1C4AKR1C3AKR1C2
SCHEMBL31202812 0.86 CYP1A2 (0.45) CYP1A2KDM4EAKR1C4AKR1C3AKR1C2
SCHEMBL4274148 0.85 CYP1A2 (0.44) CYP1A2KDM4EAKR1C4AKR1C3AKR1C2
SCHEMBL21752119 0.85 CYP1A2 (0.44) CYP1A2KDM4EAKR1C4AKR1C3AKR1C2
SCHEMBL31336516 0.85 CYP1A2 (0.44) CYP1A2KDM4EAKR1C4AKR1C3AKR1C2
SCHEMBL30621714 0.85 CYP1A2 (0.44) CYP1A2KDM4EAKR1C4AKR1C3AKR1C2
SCHEMBL16588884 0.85 CYP1A2 (0.40) CYP1A2KDM4EMEN1KMT2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190352511-A1 LANTHANIDE COMPLEXES COMPRISING DENDRIMERS UNIVERSITE D'ORLEANS (FR) 2019-11-21 US disclosed
EP-3568401-A1 LANTHANIDE COMPLEXES COMPRISING DENDRIMERS Universite D'Orleans (FR) 2019-11-20 EP disclosed
EP-2240970-B1 PERYLENE SEMICONDUCTORS AND METHODS OF PREPARATION AND USE THEREOF BASF SE (DE) 2018-03-14 EP disclosed
EP-2683718-B1 THIOCYANATO SUBSTITUTED NAPHTHALENE DIIMIDE COMPOUNDS AND THEIR USE AS N-TYPE SEMICONDUCTORS BASF SE (DE) 2017-05-24 EP disclosed
US-8710225-B2 Thiocyanato or isothiocyanato substituted naphthalene diimide and rylene diimide compounds and their use as n-type semiconductors BASF SE (DE) 2014-04-29 US disclosed
US-20130289279-A1 THIOCYANATO OR ISOTHIOCYANATO SUBSTITUTED NAPHTHALENE DIIMIDE AND RYLENE DIIMIDE COMPOUNDS AND THEIR USE AS N-TYPE SEMICONDUCTORS BASF SE (DE) 2013-10-31 US disclosed
US-8404844-B2 Perylene semiconductors and methods of preparation and use thereof BASF SE (DE) 2013-03-26 US disclosed
US-20100319778-A1 PERYLENE SEMICONDUCTORS AND METHODS OF PREPARATION AND USE THEREOF BASF SE (DE) 2010-12-23 US disclosed
EP-2240970-A1 PERYLENE SEMICONDUCTORS AND METHODS OF PREPARATION AND USE THEREOF BASF SE (DE) 2010-10-20 EP disclosed
WO-2009098252-A1 PERYLENE SEMICONDUCTORS AND METHODS OF PREPARATION AND USE THEREOF BASF SE (DE) 2009-08-13 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-20190352511-A1 LANTHANIDE COMPLEXES COMPRISING DENDRIMERS CLTA, CLTB, CA12 CYP1A2 2528/4885KDM4E 3267/4885AKR1C4 1611/4885
US-20100319778-A1 PERYLENE SEMICONDUCTORS AND METHODS OF PREPARATION AND USE THEREOF CDYL, PNN, CPNE4 CYP1A2 463/4885KDM4E 1742/4885AKR1C4 4337/4885

“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.