SCHEMBL20199431

SCHEMBL20199431

CC(C)N(c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1)c1ccccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 18/20 0.39
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
XBP1 P17861 1/20 0.36
PTBP1 P26599 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
GALK1 P51570 1/20 0.36
BLM P54132 1/20 0.36
SMAD3 P84022 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL20199434 0.94 PDK2 (0.37) PDK2MEN1APAF1NPC1LMNA
SCHEMBL20152516 0.91 PDK2 (0.35) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL13338701 0.91 PDK2 (0.43) PDK2MEN1APAF1NPC1LMNA
SCHEMBL20152512 0.89 MEN1 (0.38) PDK2MEN1APAF1NPC1LMNA
SCHEMBL13338424 0.89 PDK2 (0.40) PDK2MEN1APAF1NPC1LMNA
SCHEMBL13338425 0.88 PDK2 (0.40) PDK2MEN1APAF1NPC1LMNA
SCHEMBL20203679 0.86 CRHR1 (0.33) PDK2MEN1APAF1NPC1LMNA
SCHEMBL18015327 0.86 PDK2 (0.43) PDK2MEN1APAF1NPC1LMNA
SCHEMBL15038437 0.86 PDK2 (0.43) PDK2MEN1APAF1NPC1LMNA
SCHEMBL13338628 0.86 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 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-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME DCX, TERT, TELO2 PDK2 484/4885MEN1 2052/4885APAF1 2448/4885

“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.