SCHEMBL17465480

SCHEMBL17465480

CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)cc(N(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4)c3)cc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 18/20 0.43
▸ MEN1 O00255 1/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ PTBP1 P26599 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GALK1 P51570 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ SMAD3 P84022 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL12378963 1.00 PDK2 (0.43) PDK2MEN1APAF1NPC1LMNA
SCHEMBL12378967 0.99 PDK2 (0.43) PDK2
SCHEMBL17180552 0.97 PDK2 (0.43) PDK2MEN1APAF1NPC1LMNA
SCHEMBL17180537 0.96 PDK2 (0.43) PDK2
SCHEMBL25125656 0.96 PDK2 (0.44) PDK2MEN1APAF1NPC1LMNA
SCHEMBL13104688 0.95 PDK2 (0.40) PDK2
SCHEMBL12378970 0.95 PDK2 (0.46) PDK2MEN1KMT2A
SCHEMBL10135907 0.94 PDK2 (0.38) PDK2MEN1APAF1NPC1LMNA
SCHEMBL13104646 0.94 PDK2 (0.40) PDK2
SCHEMBL10135920 0.94 PDK2 (0.38) PDK2MEN1APAF1NPC1LMNA

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-20170162813-A1 ORGANIC ELECTRONIC ELEMENT USING A COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-06-08 — — US disclosed
US-20170162813-A1 ORGANIC ELECTRONIC ELEMENT USING A COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-06-08 — — US disclosed
WO-2016013816-A1 ORGANIC ELECTRICAL ELEMENT USING COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2016-01-28 — — WO 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-20170162813-A1 ORGANIC ELECTRONIC ELEMENT USING A COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND AN ELECTRONIC DEVICE THEREOF OCIAD1, GPX1, PIEZO1 PDK2 2382/4885MEN1 613/4885APAF1 1008/4885

“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.

Send feedback