SCHEMBL17854239

SCHEMBL17854239

c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)cc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
PDK2 Q15119 1/20 0.32
MCL1 Q07820 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNA7 P36544 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL23237476 0.96 CA12 (0.34) CA12CA1CA2CA9PDK2
SCHEMBL24646345 0.95 MCL1 (0.33) CA12CA1CA2CA9MCL1
SCHEMBL17854082 0.95 MCL1 (0.34) CA12CA1CA2CA9MCL1
SCHEMBL23224363 0.94 MCL1 (0.33) CA12CA1CA2CA9PDK2
SCHEMBL18469245 0.94 CA12 (0.33) CA12CA1CA2CA9PDK2
SCHEMBL17854154 0.94 MCL1 (0.33) CA12CA1CA2CA9MCL1
SCHEMBL19001939 0.94 CA12 (0.39) CA12CA1CA2CA9PDK2
SCHEMBL21250668 0.94 CA12 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL26001383 0.94 CA12 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL26001598 0.94 CA12 (0.39) CA12CA1CA2CA9MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10944057-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2021-03-09 US disclosed
US-20160176801-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160176801-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 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-10944057-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic equipment OR10J3, KCNA5, KCNK10 CA12 3580/4885CA1 3869/4885CA2 4042/4885
US-20160176801-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT OR10J3, KCNA5, KCNK10 CA12 3580/4885CA1 3869/4885CA2 4042/4885

“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.