SCHEMBL599077

SCHEMBL599077

CC(=O)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(C(C)=O)cc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 13/20 0.65
S100A4 P26447 1/20 0.54
MAPT P10636 4/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B1 P14061 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
CYBB P04839 1/20 0.41
APP P05067 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
SNCA P37840 1/20 0.41
KMT2A Q03164 1/20 0.41
NOX3 Q9HBY0 1/20 0.41
NOX4 Q9NPH5 1/20 0.41

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
SCHEMBL5848202 1.00 PDK2 (0.65) PDK2S100A4MAPTNPC1RAB9A
SCHEMBL5847799 1.00 PDK2 (0.65) PDK2S100A4MAPTNPC1RAB9A
SCHEMBL20371195 0.92 PDK2 (0.57) PDK2S100A4MAPTNPC1RAB9A
SCHEMBL6861448 0.91 MAPT (0.59) PDK2S100A4MAPTNPC1RAB9A
SCHEMBL5848239 0.91 MAPT (0.59) PDK2S100A4MAPTNPC1RAB9A
SCHEMBL16271530 0.88 PDK2 (0.64) PDK2S100A4
SCHEMBL12332625 0.87 PDK2 (0.52) PDK2S100A4MAPTNPC1RAB9A
SCHEMBL9172910 0.86 PDK2 (0.55) PDK2S100A4MAPTNPC1RAB9A
SCHEMBL14174223 0.86 PDK2 (0.54) PDK2S100A4MAPTNPC1RAB9A
SCHEMBL14427826 0.86 PDK2 (0.51) PDK2S100A4MAPTNPC1RAB9A

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535703-B2 Methanesulfonic acid mediated solvent free synthesis of conjugated porous polymer networks THE TEXAS A&M UNIVERSITY SYSTEM (US) 2022-12-27 US disclosed
US-20210230359-A1 Methanesulfonic Acid Mediated Solvent Free Synthesis of Conjugated Porous Polymer Networks THE TEXAS A&M UNIVERSITY SYSTEM 2021-07-29 US disclosed
US-10961349-B2 O-hydroxy-functionalized diamines, polyimides, methods of making each, and methods of use KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2021-03-30 US disclosed
US-10961349-B2 O-hydroxy-functionalized diamines, polyimides, methods of making each, and methods of use KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2021-03-30 US disclosed
US-10934389-B2 Methanesulfonic acid mediated solvent free synthesis of conjugated porous polymer networks THE TEXAS A&M UNIVERSITY SYSTEM (US) 2021-03-02 US disclosed
US-20200148812-A1 Methanesulfonic Acid Mediated Solvent Free Synthesis of Conjugated Porous Polymer Networks THE TEXAS A&M UNIVERSITY SYSTEM 2020-05-14 US disclosed
EP-3533781-A1 O-HYDROXY-FUNCTIONALIZED DIAMINES, POLYMIDES, METHODS OF MAKING EACH, AND METHODS OF USE King Abdullah University Of Science And Technology (SA) 2019-09-04 EP disclosed
EP-3533781-A1 O-HYDROXY-FUNCTIONALIZED DIAMINES, POLYMIDES, METHODS OF MAKING EACH, AND METHODS OF USE King Abdullah University Of Science And Technology (SA) 2019-09-04 EP disclosed
US-20190218345-A1 O-HYDROXY-FUNCTIONALIZED DIAMINES, POLYIMIDES, METHODS OF MAKING EACH, AND METHODS OF USE UNIV KING ABDULLAH SCI & TECH (SA) 2019-07-18 US disclosed
US-20190218345-A1 O-HYDROXY-FUNCTIONALIZED DIAMINES, POLYIMIDES, METHODS OF MAKING EACH, AND METHODS OF USE UNIV KING ABDULLAH SCI & TECH (SA) 2019-07-18 US disclosed
EP-0882082-B1 PARTLY CONJUGATED POLYMERS WITH SPIRO CENTRES AND THEIR USE AS ELECTRO-LUMINESCENT MATERIALS AXIVA GMBH (DE) 2000-11-08 EP disclosed
EP-0968175-A1 SPIRO COMPOUNDS AND THE USE THEREOF Aventis Research & Technologies GmbH & Co KG (DE) 2000-01-05 EP disclosed
EP-0935691-A1 OPTICAL BRIGHTENING AGENT Aventis Research & Technologies GmbH & Co. KG (DE) 1999-08-18 EP disclosed
WO-1999040655-A1 USE OF SPIRO COMPOUNDS AS LASER DYES AXIVA GMBH (DE) 1999-08-12 WO disclosed
EP-0882082-A1 PARTY CONJUGATED POLYMERS WITH SPIRO CENTRES AND THEIR USE AS ELECTRO-LUMINESCENT MATERIALS Hoechst Research & Technology Deutschland GmbH & Co. KG (DE) 1998-12-09 EP disclosed
US-5840217-A LIGHT-EMITTING, CHARGE-TRANSPORT, CHARGE-INJECTION MATERIALS HOECHST AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed
WO-1998042655-A1 SPIRO COMPOUNDS AND THE USE THEREOF AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-10-01 WO disclosed
WO-1998018996-A1 OPTICAL BRIGHTENING AGENT AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-05-07 WO disclosed
WO-1997031048-A1 PARTY CONJUGATED POLYMERS WITH SPIRO CENTRES AND THEIR USE AS ELECTRO-LUMINESCENT MATERIALS HOECHST RESEARCH & TECHNOLOGY DEUTSCHLAND GMBH & CO. KG (DE) 1997-08-28 WO disclosed
EP-0676461-A2 Spiro compounds and their application as electroluminescence materials HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-11 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 (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-10961349-B2 O-hydroxy-functionalized diamines, polyimides, methods of making each, and methods of use ALKBH3, AOC1, PAM PDK2 1922/4885S100A4 2320/4885MAPT 3676/4885
US-20190218345-A1 O-HYDROXY-FUNCTIONALIZED DIAMINES, POLYIMIDES, METHODS OF MAKING EACH, AND METHODS OF USE ALKBH3, AOC1, PAM PDK2 1922/4885S100A4 2320/4885MAPT 3676/4885

“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.