SCHEMBL9909999

SCHEMBL9909999

CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.56
LIPG Q9Y5X9 6/20 0.56
NR5A1 Q13285 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.41
LTA4H P09960 3/20 0.41
PLA2G4B P0C869 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 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
SCHEMBL4192483 1.00 LPL (0.56) LPLLIPGNR5A1CA1CA2
SCHEMBL14646291 1.00 LPL (0.56) LPLLIPGNR5A1CA1CA2
SCHEMBL22770755 0.96 LPL (0.52) LPLLIPGNR5A1CA1CA2
SCHEMBL21311012 0.96 LPL (0.54) LPLLIPGNR5A1CA1CA2
SCHEMBL25527190 0.93 LPL (0.63) LPLLIPGNR5A1CA1CA2
SCHEMBL15037360 0.93 LPL (0.63) LPLLIPGNR5A1CA1CA2
SCHEMBL18727880 0.92 LPL (0.62) LPLLIPGNR5A1CA1CA2
SCHEMBL30771573 0.91 LPL (0.45) LPLLIPGNR5A1CA1CA2
SCHEMBL30771538 0.90 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL14302548 0.89 LPL (0.61) LPLLIPGNR5A1CA1CA2

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 9 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
US-8586764-B2 Organic dyes and preparation method thereof and dye-sensitized solar cells China National Academy of Nanotechnology and Engineering (CN) 2013-11-19 US disclosed
US-20120138133-A1 ORGANIC DYES AND PREPARATION METHOD THEREOF AND DYE-SENSITIZED SOLAR CELLS China National Academy of Nanotechnology and Engineering (CN) 2012-06-07 US disclosed
US-20120138133-A1 ORGANIC DYES AND PREPARATION METHOD THEREOF AND DYE-SENSITIZED SOLAR CELLS China National Academy of Nanotechnology and Engineering (CN) 2012-06-07 US 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-20120138133-A1 ORGANIC DYES AND PREPARATION METHOD THEREOF AND DYE-SENSITIZED SOLAR CELLS UROD, TYR, DDT LPL 4057/4885LIPG 3298/4885NR5A1 2225/4885
US-20150213966-A1 DIKETOPYRROLOPYROLE (DPP)-BASED SENSITIZERS FOR ELECTROCHEMICAL OR OPTOELECTRONIC DEVICES DDT, PDK1, PPOX LPL 3396/4885LIPG 4475/4885NR5A1 3929/4885

“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.