SCHEMBL1104845

SCHEMBL1104845

Cc1ccc2c(c1)nc(-c1ccncc1)n2-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
SIRT2 Q8IXJ6 2/20 0.54
SIRT1 Q96EB6 2/20 0.54
NLRP3 Q96P20 1/20 0.52
PDE10A Q9Y233 5/20 0.48
MDM2 Q00987 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
HSP90AA1 P07900 1/20 0.47
KCNH2 Q12809 1/20 0.47
AOC3 Q16853 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
DHFR P00374 1/20 0.46
FGFR1 P11362 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL1104848 0.94 ALDH1A1 (0.58) ALDH1A1SIRT2SIRT1NLRP3PDE10A
SCHEMBL1104831 0.91 NLRP3 (0.61) ALDH1A1SIRT2SIRT1NLRP3PDE10A
SCHEMBL13486686 0.91 SIRT2 (0.62) ALDH1A1SIRT2SIRT1NLRP3PDE10A
SCHEMBL1104864 0.89 ALDH1A1 (0.54) ALDH1A1SIRT2SIRT1NLRP3MDM2
SCHEMBL10979856 0.87 NLRP3 (0.60) ALDH1A1SIRT2SIRT1NLRP3PDE10A
SCHEMBL1104853 0.85 AOC3 (0.53) ALDH1A1SIRT2SIRT1NLRP3PDE10A
SCHEMBL1104858 0.85 MDM2 (0.59) ALDH1A1SIRT2SIRT1NLRP3PDE10A
SCHEMBL22507408 0.84 SIRT2 (0.50) ALDH1A1SIRT2SIRT1MDM2MEN1
SCHEMBL19884345 0.84 MAPK1 (0.55) ALDH1A1SIRT2SIRT1NLRP3PDE10A
SCHEMBL12116702 0.83 ESR2 (0.65) ALDH1A1MEN1KMT2AMAPTHSP90AA1

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 203 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-11189809-B2 Organic EL device and display unit SONY CORPORATION (JP) 2021-11-30 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-10411212-B2 Organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2019-09-10 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-9954169-B2 Organic EL display and method of manufacturing the same JOLED INC. (JP) 2018-04-24 US disclosed
US-9954169-B2 Organic EL display and method of manufacturing the same JOLED INC. (JP) 2018-04-24 US disclosed
US-20090009066-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090009066-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090008607-A1 NAPHTHALENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090008607-A1 NAPHTHALENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20080292904-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY APPARATUS SONY CORPORATION (JP) 2008-11-27 US disclosed
US-20080292904-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY APPARATUS SONY CORPORATION (JP) 2008-11-27 US disclosed
US-20080258613-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2008-10-23 US disclosed
US-20080258613-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2008-10-23 US disclosed
US-20080233387-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY DEVICE SONY CORPORATION (JP) 2008-09-25 US disclosed
US-20080233387-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY DEVICE SONY CORPORATION (JP) 2008-09-25 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-20090008607-A1 NAPHTHALENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME CCNL2, ARL1, CCNA1 ALDH1A1 673/4885SIRT2 331/4885SIRT1 631/4885
US-11069862-B2 Material for organic electroluminescence device and organic electroluminescence device using the same EPCAM, ILK, PPOX ALDH1A1 1810/4885SIRT2 1651/4885SIRT1 1598/4885
US-10411212-B2 Organic electroluminescent element L1CAM, NES, EML4 ALDH1A1 215/4885SIRT2 3022/4885SIRT1 3697/4885
US-20220407018-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME PPOX, EPCAM, STOM ALDH1A1 1724/4885SIRT2 2011/4885SIRT1 2018/4885
US-10020454-B2 Material for organic electroluminescence device and organic electroluminescence device using the same PPOX, EPCAM, STOM ALDH1A1 1724/4885SIRT2 2011/4885SIRT1 2018/4885
US-11189809-B2 Organic EL device and display unit L1CAM, ESR1, EPHA8 ALDH1A1 393/4885SIRT2 4772/4885SIRT1 4784/4885
US-10026907-B2 Material for organic electroluminescence device and organic electroluminescence device using the same EPCAM, ILK, PPOX ALDH1A1 1810/4885SIRT2 1651/4885SIRT1 1598/4885

“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.