SCHEMBL4856109

SCHEMBL4856109

c1ccc2cc(-c3cc4ccccc4n3-c3ccc(-c4ccc(-n5c(-c6ccc7ccccc7c6)cc6ccccc65)cc4)cc3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 1/20 0.47
▸ APP P05067 1/20 0.45
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ MAPK9 P45984 3/20 0.42
▸ MAPK10 P53779 3/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GSTP1 P09211 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ AOC3 Q16853 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ HTR3A P46098 1/20 0.38

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
SCHEMBL3867353 0.86 HAO1 (0.59) HAO1APPESR1ESR2ALDH1A1
SCHEMBL12123235 0.83 KDM4E (0.44) HAO1APPMAPK9MAPK10MAPK8
SCHEMBL14644422 0.82 HAO1 (0.47) HAO1APPESR1ESR2MAPK9
SCHEMBL13425022 0.82 HAO1 (0.62) HAO1APPESR1ESR2ALDH1A1
SCHEMBL14077257 0.82 RELA (0.47) HAO1APPMAPK9MAPK10MAPK8
SCHEMBL12980354 0.81 HAO1 (0.56) HAO1APPALDH1A1TSHRKMT2A
SCHEMBL23733882 0.81 HAO1 (0.45) HAO1APPESR1ESR2ALDH1A1
SCHEMBL12123239 0.81 KDM4E (0.42) HAO1APPESR1ESR2MAPK9
SCHEMBL14644717 0.81 HAO1 (0.46) HAO1APPESR1ESR2MAPK9
SCHEMBL16356503 0.80 HAO1 (0.46) HAO1APPMAPK9MAPK10ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130026458-A1 CROSSLINKABLE COMPOSITION DAICEL CORPORATION (JP) 2013-01-31 — — US disclosed
US-20130026458-A1 CROSSLINKABLE COMPOSITION DAICEL CORPORATION (JP) 2013-01-31 — — US disclosed
US-7388100-B2 Tertiary amine compounds NISHIO TETSUYA 2008-06-17 — — US disclosed
US-7388100-B2 Tertiary amine compounds NISHIO TETSUYA 2008-06-17 — — US disclosed
US-7388100-B2 Tertiary amine compounds NISHIO TETSUYA 2008-06-17 — — US disclosed
US-20060145145-A1 Tertiary amine compounds, organic semiconductor devices using the same and organic electroluminescence devices using the same NISHIO TETSUYA 2006-07-06 — — 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 (2 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-20060145145-A1 Tertiary amine compounds, organic semiconductor devices using the same and organic electroluminescence devices using the same PIEZO1, YES1, SAT1 HAO1 1428/4885APP 3080/4885ESR1 1360/4885
US-20130026458-A1 CROSSLINKABLE COMPOSITION DDC, ODC1, SRM HAO1 2706/4885APP 538/4885ESR1 2042/4885

“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.

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