SCHEMBL13878129

SCHEMBL13878129

CC1(C)c2cc(-c3cccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5ccccc5c4)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7ccccc7c6)c5)ccc3-4)cc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 14/20 0.36
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ CHRNA1 P02708 1/20 0.32
▸ CHRNG P07510 1/20 0.32
▸ CHRNB1 P11230 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ CHRND Q07001 1/20 0.32
▸ LPL P06858 1/20 0.32
▸ LIPG Q9Y5X9 1/20 0.32

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
SCHEMBL13153091 1.00 PDK2 (0.36) PDK2HSD17B1HSD17B2SLC6A2SLC6A4
SCHEMBL22182542 0.99 PDK2 (0.37) PDK2HSD17B1HSD17B2SLC6A2SLC6A4
SCHEMBL13153086 0.97 PDK2 (0.35) PDK2HSD17B1HSD17B2SLC6A2SLC6A4
SCHEMBL13878192 0.97 PDK2 (0.35) PDK2HSD17B1HSD17B2SLC6A2SLC6A4
SCHEMBL23224742 0.96 HSD17B1 (0.38) PDK2HSD17B1HSD17B2SLC6A2SLC6A4
SCHEMBL17471809 0.95 PDK2 (0.33) PDK2HSD17B1HSD17B2SLC6A2SLC6A4
SCHEMBL23951236 0.95 PDK2 (0.36) PDK2HSD17B1HSD17B2SLC6A2SLC6A4
SCHEMBL24918482 0.94 PDK2 (0.36) PDK2HSD17B1HSD17B2SLC6A2SLC6A4
SCHEMBL23225059 0.94 HSD17B1 (0.36) PDK2HSD17B1HSD17B2SLC6A2SLC6A4
SCHEMBL22182539 0.94 PDK2 (0.36) PDK2HSD17B1HSD17B2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090091244-A1 AMINE COMPOUND, ORGANIC LIGHT-EMITTING DEVICE, AND ORGANIC BLUE-LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2009-04-09 — — 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 (1 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-20090091244-A1 AMINE COMPOUND, ORGANIC LIGHT-EMITTING DEVICE, AND ORGANIC BLUE-LIGHT-EMITTING DEVICE TYR, AOC2, CRY1 PDK2 2961/4885HSD17B1 2985/4885HSD17B2 3125/4885

“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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