SCHEMBL804812

SCHEMBL804812

Cc1ccccc1-n1c(-c2cc(-c3nc4ccccc4n3-c3ccccc3C)cc(-c3nc4ccccc4n3-c3ccccc3C)c2)nc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HTT P42858 2/20 0.46
GAA P10253 2/20 0.46
PKM P14618 2/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
KLK7 P49862 1/20 0.45
RAB9A P51151 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIA1 P42261 1/20 0.41
CACNG8 Q8WXS5 1/20 0.41
CACNG2 Q9Y698 1/20 0.41
RPS6KB1 P23443 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
SCHEMBL21480257 0.93 TSHR (0.59) TSHRPTGS2ALDH1A1HTTGAA
SCHEMBL804809 0.91 TSHR (0.60) TSHRPTGS2ALDH1A1HTTGAA
SCHEMBL22507333 0.90 TSHR (0.56) TSHRPTGS2ALDH1A1HTTGAA
SCHEMBL13299515 0.90 TSHR (0.68) TSHRPTGS2ALDH1A1HTTGAA
SCHEMBL12159623 0.90 TSHR (0.59) TSHRPTGS2ALDH1A1HTTGAA
SCHEMBL22507278 0.88 TSHR (0.54) TSHRPTGS2ALDH1A1HTTGAA
SCHEMBL13023889 0.88 TSHR (0.54) TSHRPTGS2ALDH1A1HTTGAA
SCHEMBL13324389 0.88 TSHR (0.54) TSHRPTGS2ALDH1A1HTTGAA
SCHEMBL804800 0.85 TSHR (0.66) TSHRPTGS2ALDH1A1HTTGAA
SCHEMBL804994 0.85 TSHR (0.70) TSHRPTGS2ALDH1A1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240032421-A1 Charge Transporting Material, Organic Electroluminescent Element, Light Emitting Device, Display Device And Illumination Device UDC IRELAND LIMITED (IE) 2024-01-25 US disclosed
US-20240032421-A1 Charge Transporting Material, Organic Electroluminescent Element, Light Emitting Device, Display Device And Illumination Device UDC IRELAND LIMITED (IE) 2024-01-25 US disclosed
US-11844229-B2 Electroluminescent element, and light emitting device, display device and lighting device each using organic electroluminescent element UDC IRELAND LIMITED (IE) 2023-12-12 US disclosed
US-11844229-B2 Electroluminescent element, and light emitting device, display device and lighting device each using organic electroluminescent element UDC IRELAND LIMITED (IE) 2023-12-12 US disclosed
US-11800798-B2 Charge transporting material, organic electroluminescent element, light emitting device, display device and illumination device UDC IRELAND LIMITED (IE) 2023-10-24 US disclosed
US-11800798-B2 Charge transporting material, organic electroluminescent element, light emitting device, display device and illumination device UDC IRELAND LIMITED (IE) 2023-10-24 US disclosed
US-11744144-B2 Organic electroluminescent element, light-emitting material therefor, light emitting device, display device, and illumination device UDC IRELAND LIMITED (IE) 2023-08-29 US disclosed
US-11700769-B2 Organic electroluminescent element, compound, and light emitting device, display device and lighting system, using said element UDC IRELAND LIMITED (IE) 2023-07-11 US disclosed
US-11700769-B2 Organic electroluminescent element, compound, and light emitting device, display device and lighting system, using said element UDC IRELAND LIMITED (IE) 2023-07-11 US disclosed
US-20230217666-A1 Organic Electroluminescent Element And Novel Iridium Complex UDC IRELAND LTD (IE) 2023-07-06 US disclosed
US-20070176540-A1 Transition metal complex compound and organic electroluminescence device using the compound IDEMITSU KOSAN CO., LTD. (JP) 2007-08-02 US disclosed
US-20070176540-A1 Transition metal complex compound and organic electroluminescence device using the compound IDEMITSU KOSAN CO., LTD. (JP) 2007-08-02 US disclosed
US-20070141397-A1 TRANSITION METAL COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND IDEMITSU KOSAN CO., LTD (JP) 2007-06-21 US disclosed
US-20070141397-A1 TRANSITION METAL COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND IDEMITSU KOSAN CO., LTD (JP) 2007-06-21 US disclosed
US-20070128467-A1 Material for organic electroluminescent device and organic electroluminescent device using same IDEMITSU KOSAN C., LTD. (JP) 2007-06-07 US disclosed
US-20070108891-A1 METAL-COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2007-05-17 US disclosed
US-20070108891-A1 METAL-COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2007-05-17 US disclosed
US-20070104976-A1 Material for organic electroluminescent device and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2007-05-10 US disclosed
US-20070104976-A1 Material for organic electroluminescent device and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2007-05-10 US disclosed
US-20070069638-A1 Blue organic electroluminescent device IDEMITSU KOSAN CO., LTD. (JP) 2007-03-29 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 (7 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-20230217666-A1 Organic Electroluminescent Element And Novel Iridium Complex CTCF, AP1M1, CLIC4 TSHR 2070/4885PTGS2 4350/4885ALDH1A1 1521/4885
US-20070176540-A1 Transition metal complex compound and organic electroluminescence device using the compound TMCO1, TIMCC, EMC2 TSHR 2904/4885PTGS2 3203/4885ALDH1A1 2997/4885
US-11700769-B2 Organic electroluminescent element, compound, and light emitting device, display device and lighting system, using said element ALDH1A2, AOC2, AOX1 TSHR 3768/4885PTGS2 2131/4885ALDH1A1 39/4885
US-11800798-B2 Charge transporting material, organic electroluminescent element, light emitting device, display device and illumination device TMEM109, SLC39A11, SLC39A14 TSHR 2815/4885PTGS2 4648/4885ALDH1A1 981/4885
US-11844229-B2 Electroluminescent element, and light emitting device, display device and lighting device each using organic electroluminescent element LAS1L, CCNL2, CDC5L TSHR 4126/4885PTGS2 4319/4885ALDH1A1 939/4885
US-20240032421-A1 Charge Transporting Material, Organic Electroluminescent Element, Light Emitting Device, Display Device And Illumination Device TMEM109, SLC39A11, SLC39A14 TSHR 2815/4885PTGS2 4648/4885ALDH1A1 981/4885
US-20070108891-A1 METAL-COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND EMC2, LAGE3, EPCAM TSHR 4156/4885PTGS2 4398/4885ALDH1A1 1045/4885

“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.