SCHEMBL804800

SCHEMBL804800

Cc1cc(-c2nc3ccccc3n2-c2ccccc2C)c(C)cc1-c1nc2ccccc2n1-c1ccccc1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
KDM4E B2RXH2 3/20 0.50
KLK7 P49862 1/20 0.50
RAB9A P51151 2/20 0.49
RECQL P46063 1/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 2/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
EPHB4 P54760 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
RPS6KB1 P23443 1/20 0.40
ROCK1 Q13464 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NQO2 P16083 1/20 0.40

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
SCHEMBL14679813 0.88 TSHR (0.52) TSHRKDM4EKLK7RAB9ARECQL
SCHEMBL13943550 0.88 TSHR (0.52) TSHRKDM4EKLK7RAB9ARECQL
SCHEMBL804812 0.85 TSHR (0.68) TSHRKDM4EKLK7RAB9AALDH1A1
SCHEMBL12159623 0.85 TSHR (0.59) TSHRKDM4EKLK7RAB9ARECQL
SCHEMBL804994 0.83 TSHR (0.70) TSHRKDM4EKLK7RAB9AALDH1A1
SCHEMBL9002911 0.83 TSHR (0.60) TSHRKDM4EKLK7RAB9ARECQL
SCHEMBL804584 0.82 RECQL (0.64) TSHRKDM4ERAB9ARECQLALDH1A1
SCHEMBL13299515 0.82 TSHR (0.68) TSHRKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL804809 0.80 TSHR (0.60) TSHRKDM4EKLK7RAB9AALDH1A1
SCHEMBL15605424 0.80 TSHR (1.00) TSHRKDM4ERAB9AALDH1A1LMNA

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 172 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-20070128467-A1 Material for organic electroluminescent device and organic electroluminescent device using same IDEMITSU KOSAN C., LTD. (JP) 2007-06-07 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-20070111024-A1 Metal complex compound and organic electroluminescence device containing the same IDEMITSU KOSAN CO., LTD. (JP) 2007-05-17 US disclosed
US-20070111024-A1 Metal complex compound and organic electroluminescence device containing the same 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 (6 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 4787/4885KDM4E 2903/4885KLK7 3520/4885
US-20220407018-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME PPOX, EPCAM, STOM TSHR 4783/4885KDM4E 2892/4885KLK7 3498/4885
US-20180083205-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME EPCAM, ILK, PPOX TSHR 4782/4885KDM4E 2892/4885KLK7 3508/4885
US-10020454-B2 Material for organic electroluminescence device and organic electroluminescence device using the same PPOX, EPCAM, STOM TSHR 4783/4885KDM4E 2892/4885KLK7 3498/4885
US-20070108891-A1 METAL-COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND EMC2, LAGE3, EPCAM TSHR 4156/4885KDM4E 1142/4885KLK7 2668/4885
US-10026907-B2 Material for organic electroluminescence device and organic electroluminescence device using the same EPCAM, ILK, PPOX TSHR 4787/4885KDM4E 2903/4885KLK7 3520/4885

“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.