SCHEMBL804994

SCHEMBL804994

Cc1ccccc1-n1c(-c2nc(-c3nc4ccccc4n3-c3ccccc3C)nc(-c3nc4ccccc4n3-c3ccccc3C)n2)nc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.70
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 2/20 0.43
KLK7 P49862 1/20 0.43
RPS6KB1 P23443 2/20 0.42
ROCK1 Q13464 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.41
PKM P14618 2/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGS2 P35354 1/20 0.41
GALR3 O60755 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
SCHEMBL13023890 0.87 TSHR (0.55) TSHRALDH1A1LMNAL3MBTL1HTT
SCHEMBL13299515 0.85 TSHR (0.68) TSHRALDH1A1LMNAL3MBTL1HTT
SCHEMBL804812 0.85 TSHR (0.68) TSHRALDH1A1LMNAL3MBTL1HTT
SCHEMBL804800 0.83 TSHR (0.66) TSHRALDH1A1LMNAL3MBTL1HTT
SCHEMBL22507333 0.82 TSHR (0.56) TSHRALDH1A1LMNAL3MBTL1HTT
SCHEMBL15605424 0.82 TSHR (1.00) TSHRALDH1A1LMNAL3MBTL1HTT
SCHEMBL14582720 0.82 TSHR (0.64) TSHRALDH1A1LMNAL3MBTL1HTT
SCHEMBL22507278 0.80 TSHR (0.54) TSHRALDH1A1LMNAL3MBTL1HTT
SCHEMBL14380686 0.80 TSHR (0.47) TSHRALDH1A1LMNAL3MBTL1HTT
SCHEMBL23337192 0.80 ESR2 (0.62) TSHRALDH1A1LMNAL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220407018-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2022-12-22 US disclosed
US-RE49118-E1 Material for organic electroluminescence device and electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2022-06-28 US disclosed
US-11069862-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2021-07-20 US disclosed
US-10026907-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2018-07-17 US disclosed
US-10026907-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2018-07-17 US disclosed
US-10020454-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2018-07-10 US disclosed
US-10020454-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2018-07-10 US disclosed
US-20180083205-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2018-03-22 US disclosed
US-20180083205-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2018-03-22 US disclosed
US-20180040835-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2018-02-08 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-20070135652-A1 METAL-COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2007-06-14 US disclosed
US-20070135652-A1 METAL-COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2007-06-14 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
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-11069862-B2 Material for organic electroluminescence device and organic electroluminescence device using the same EPCAM, ILK, PPOX TSHR 4787/4885ALDH1A1 1810/4885LMNA 3343/4885
US-20220407018-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME PPOX, EPCAM, STOM TSHR 4783/4885ALDH1A1 1724/4885LMNA 3447/4885
US-20070135652-A1 METAL-COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND EMC2, EMC1, L1CAM TSHR 4153/4885ALDH1A1 1885/4885LMNA 2158/4885
US-20180083205-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME EPCAM, ILK, PPOX TSHR 4782/4885ALDH1A1 1763/4885LMNA 3396/4885
US-10020454-B2 Material for organic electroluminescence device and organic electroluminescence device using the same PPOX, EPCAM, STOM TSHR 4783/4885ALDH1A1 1724/4885LMNA 3447/4885
US-20070108891-A1 METAL-COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND EMC2, LAGE3, EPCAM TSHR 4156/4885ALDH1A1 1045/4885LMNA 2577/4885
US-10026907-B2 Material for organic electroluminescence device and organic electroluminescence device using the same EPCAM, ILK, PPOX TSHR 4787/4885ALDH1A1 1810/4885LMNA 3343/4885

“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.