SCHEMBL9068422

SCHEMBL9068422

CCCCCCOc1cccc(-c2ccccc2)c1OCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
SOAT1 P35610 1/20 0.49
PTPN11 Q06124 2/20 0.48
PTPN1 P18031 1/20 0.48
ADRB2 P07550 2/20 0.48
MEN1 O00255 1/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
MAPT P10636 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HTR7 P34969 1/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL27938548 1.00 KDM4E (0.49) KDM4ESOAT1PTPN11PTPN1ADRB2
SCHEMBL28780749 0.98 KDM4E (0.50) KDM4ESOAT1PTPN11PTPN1ADRB2
SCHEMBL10596503 0.97 PTPN11 (0.49) KDM4ESOAT1PTPN11PTPN1ADRB2
SCHEMBL10597509 0.97 PTPN11 (0.49) KDM4ESOAT1PTPN11PTPN1ADRB2
SCHEMBL10596912 0.97 PTPN11 (0.49) KDM4ESOAT1PTPN11PTPN1ADRB2
SCHEMBL10597744 0.97 PTPN11 (0.49) KDM4ESOAT1PTPN11PTPN1ADRB2
SCHEMBL10596914 0.97 PTPN11 (0.49) KDM4ESOAT1PTPN11PTPN1ADRB2
SCHEMBL10598828 0.95 KDM4E (0.48) KDM4ESOAT1PTPN11PTPN1ADRB2
SCHEMBL9148968 0.94 KDM4E (0.51) KDM4EPTPN1ADRB2MEN1LMNA
SCHEMBL10597789 0.91 KDM4E (0.49) KDM4EPTPN11PTPN1ADRB2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9697956-B2 Diketopyrrolopyrole (DPP)-based sensitizers for electrochemical or optoelectronic devices ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2017-07-04 US disclosed
EP-2892977-B9 DIKETOPYRROLOPYROLE (DPP)-BASED SENSITIZERS FOR ELECTROCHEMICAL OR OPTOELECTRONIC DEVICES ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) 2017-05-03 EP disclosed
EP-2892977-B1 DIKETOPYRROLOPYROLE (DPP)-BASED SENSITIZERS FOR ELECTROCHEMICAL OR OPTOELECTRONIC DEVICES ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) 2017-01-04 EP disclosed
US-20150213966-A1 DIKETOPYRROLOPYROLE (DPP)-BASED SENSITIZERS FOR ELECTROCHEMICAL OR OPTOELECTRONIC DEVICES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2015-07-30 US disclosed
EP-2892977-A2 DIKETOPYRROLOPYROLE (DPP)-BASED SENSITIZERS FOR ELECTROCHEMICAL OR OPTOELECTRONIC DEVICES Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2015-07-15 EP disclosed
WO-2014033582-A2 DIKETOPYRROLOPYROLE (DPP)-BASED SENSITIZERS FOR ELECTROCHEMICAL OR OPTOELECTRONIC DEVICES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2014-03-06 WO disclosed
EP-2703468-A1 Diketopyrrolopyrole (DPP)-based sensitizers for electrochemical or optoelectronic devices Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2014-03-05 EP disclosed
US-5525265-A CONTAIN COVALENTLY BONDED INFRARED DYES AKZO NOBEL N.V. (NL) 1996-06-11 US disclosed
US-5395910-A Photostable polymers AKZO NOBEL N.V. (NL) 1995-03-07 US disclosed
EP-0478052-B1 Liquid-crystalline and infrared-sensitive liquid-crystalline polyesters suitable for use in optical data storage, processes for the preparation of same, and an apparatus containing an infrared-sensitive liquid-crystalline polyester AKZO NOBEL NV (NL) 1995-01-18 EP disclosed
EP-0550105-A2 Liquid-crystalline polyurethanes, compositions of said liquid-crystalline polyurethanes, and a device for optical data storage comprising a liquid-crystalline polyurethane Akzo Nobel N.V. (NL) 1993-07-07 EP disclosed
EP-0478052-A1 Liquid-crystalline and infrared-sensitive liquid-crystalline polyesters suitable for use in optical data storage, processes for the preparation of same, and an apparatus containing an infrared-sensitive liquid-crystalline polyester Akzo Nobel N.V. (NL) 1992-04-01 EP 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 (1 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-20150213966-A1 DIKETOPYRROLOPYROLE (DPP)-BASED SENSITIZERS FOR ELECTROCHEMICAL OR OPTOELECTRONIC DEVICES DDT, PDK1, PPOX KDM4E 2090/4885SOAT1 3693/4885PTPN11 1099/4885

“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.