SCHEMBL1978583

SCHEMBL1978583

OC1(c2ccccc2-c2ccccc2)c2cc(Br)ccc2-c2ccc(Br)cc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 8/20 0.55
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PTPRC P08575 1/20 0.37
HTT P42858 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
PIM1 P11309 1/20 0.36

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
SCHEMBL824160 1.00 PDK2 (0.55) PDK2THRBTDP1OPRM1OPRD1
SCHEMBL30463510 1.00 PDK2 (0.55) PDK2THRBTDP1OPRM1OPRD1
SCHEMBL19164437 0.98 PDK2 (0.54) PDK2THRBTDP1OPRM1OPRD1
SCHEMBL19164438 0.98 PDK2 (0.54) PDK2THRBTDP1OPRM1OPRD1
SCHEMBL24730387 0.95 PDK2 (0.51) PDK2THRBTDP1OPRM1OPRD1
SCHEMBL761313 0.90 PDK2 (0.47) PDK2THRBTDP1OPRM1OPRD1
SCHEMBL490501 0.90 PDK2 (0.47) PDK2THRBTDP1OPRM1OPRD1
SCHEMBL30480901 0.90 PDK2 (0.49) PDK2THRBTDP1OPRM1OPRD1
SCHEMBL25604177 0.90 PDK2 (0.49) PDK2THRBTDP1OPRM1OPRD1
SCHEMBL19164107 0.89 PDK2 (0.46) PDK2THRBTDP1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10056559-B2 Spirofluorene derivative, material for light-emitting element, light-emitting element, light-emitting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-08-21 US disclosed
US-20180175295-A1 SPIROFLUORENE DERIVATIVE, MATERIAL FOR LIGHT-EMITTING ELEMENT, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LAB (JP) 2018-06-21 US disclosed
US-20180175295-A1 SPIROFLUORENE DERIVATIVE, MATERIAL FOR LIGHT-EMITTING ELEMENT, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LAB (JP) 2018-06-21 US disclosed
US-20180175295-A1 SPIROFLUORENE DERIVATIVE, MATERIAL FOR LIGHT-EMITTING ELEMENT, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LAB (JP) 2018-06-21 US disclosed
US-9899602-B2 Spirofluorene derivative, material for light-emitting element, light-emitting element, light-emitting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-02-20 US disclosed
US-9899602-B2 Spirofluorene derivative, material for light-emitting element, light-emitting element, light-emitting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-02-20 US disclosed
US-9899602-B2 Spirofluorene derivative, material for light-emitting element, light-emitting element, light-emitting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-02-20 US disclosed
US-20170125679-A1 SPIROFLUORENE DERIVATIVE, MATERIAL FOR LIGHT-EMITTING ELEMENT, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LAB (JP) 2017-05-04 US disclosed
US-20170125679-A1 SPIROFLUORENE DERIVATIVE, MATERIAL FOR LIGHT-EMITTING ELEMENT, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LAB (JP) 2017-05-04 US disclosed
US-20170125679-A1 SPIROFLUORENE DERIVATIVE, MATERIAL FOR LIGHT-EMITTING ELEMENT, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LAB (JP) 2017-05-04 US 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
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
EP-0768563-A1 Use of spiro compounds as active materials for non-linear optic HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-16 EP disclosed
US-5621131-A Conjugated polymers having spiro centers and their use as electroluminescence materials HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed
EP-0707020-A2 Conjugated polymers with a spiro atom and their use as electroluminescent materials HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-17 EP 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 (3 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-20170125679-A1 SPIROFLUORENE DERIVATIVE, MATERIAL FOR LIGHT-EMITTING ELEMENT, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE GRK1, PTGER2, PTGER1 PDK2 960/4885THRB 721/4885TDP1 3612/4885
US-20180175295-A1 SPIROFLUORENE DERIVATIVE, MATERIAL FOR LIGHT-EMITTING ELEMENT, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE GRK1, PTGER2, PTGER1 PDK2 960/4885THRB 721/4885TDP1 3612/4885
US-10056559-B2 Spirofluorene derivative, material for light-emitting element, light-emitting element, light-emitting device, and electronic device GRK1, PTGER2, PTGER1 PDK2 960/4885THRB 721/4885TDP1 3612/4885

“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.