SCHEMBL9116883

SCHEMBL9116883

N#CC(=Cc1ccco1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
POLB P06746 4/20 0.64
TDP1 Q9NUW8 4/20 0.64
L3MBTL1 Q9Y468 4/20 0.64
RECQL P46063 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPT P10636 2/20 0.64
MEN1 O00255 1/20 0.64
GAA P10253 1/20 0.64
THRB P10828 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
TAS2R14 Q9NYV8 1/20 0.53
GLA P06280 1/20 0.49
CISD1 Q9NZ45 1/20 0.49

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
SCHEMBL9116880 1.00 KDM4E (0.64) KDM4EPOLBTDP1L3MBTL1RECQL
SCHEMBL15966209 0.85 POLB (0.65) KDM4EPOLBTDP1L3MBTL1RECQL
SCHEMBL14963023 0.85 POLB (0.65) KDM4EPOLBTDP1L3MBTL1RECQL
SCHEMBL38660051 0.84 KMT2A (0.57) KDM4EPOLBTDP1L3MBTL1RECQL
SCHEMBL9364888 0.81 MAPT (0.58) KDM4EPOLBTDP1L3MBTL1RECQL
SCHEMBL9364893 0.81 MAPT (0.58) KDM4EPOLBTDP1L3MBTL1RECQL
SCHEMBL1176560 0.81 POLB (0.72) KDM4EPOLBTDP1L3MBTL1RECQL
SCHEMBL1176559 0.81 POLB (0.72) KDM4EPOLBTDP1L3MBTL1RECQL
SCHEMBL9361178 0.79 MASP2 (0.55) KDM4EPOLBTDP1L3MBTL1RECQL
SCHEMBL9361183 0.79 MASP2 (0.55) KDM4EPOLBTDP1L3MBTL1RECQL

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 11 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
WO-1995032183-A1 PROCESS FOR THE PREPARATION OF 2-CYANOACRYLOYL CHLORIDE AND USE OF THE COMPOUND SO PREPARED FOR THE PREPARATION OF ESTERS OF 2-CYANOACRYLIC ACID SALDANE LIMITED (IE) 1995-11-30 WO disclosed
EP-0335641-B1 Organic nonlinear optical substance TEIJIN LTD (JP) 1994-01-05 EP disclosed
US-5196147-A Optical crystals TEIJIN LIMITED (JP) 1993-03-23 US disclosed
EP-0335641-A2 Organic nonlinear optical substance TEIJIN LIMITED (JP) 1989-10-04 EP disclosed
US-4749772-A POLYESTER REACTED WITH CYANO(METH)ACRYLATE SUBSTITUTED WITH FURANYL OR THIENYL EASTMAN KODAK COMPANY (US) 1988-06-07 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 (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 2090/4885POLB 1254/4885TDP1 1642/4885

“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.