SCHEMBL14508337

SCHEMBL14508337

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccccc4)cc3Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 16/20 0.47
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
XBP1 P17861 1/20 0.37
PTBP1 P26599 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
GALK1 P51570 1/20 0.37
BLM P54132 1/20 0.37
SMAD3 P84022 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL29789014 1.00 PDK2 (0.47) PDK2ALDH1A1MAPK1MEN1APAF1
SCHEMBL14508340 0.95 PDK2 (0.44) PDK2ALDH1A1MAPK1
SCHEMBL30714711 0.89 PDK2 (0.56) PDK2MEN1APAF1NPC1LMNA
SCHEMBL12520490 0.89 PDK2 (0.56) PDK2MEN1APAF1NPC1LMNA
SCHEMBL29549175 0.89 PDK2 (0.56) PDK2MEN1APAF1NPC1LMNA
SCHEMBL14508335 0.87 ALDH1A1 (0.44) PDK2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL29577059 0.87 ALDH1A1 (0.44) PDK2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL29789018 0.87 ALDH1A1 (0.44) PDK2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL30297640 0.85 PDK2 (0.53) PDK2MEN1APAF1NPC1LMNA
SCHEMBL14508322 0.85 ALDH1A1 (0.45) PDK2ALDH1A1MAPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125276-A1 ORGANIC COMPOUND AND USE THEREOF 北京鼎材科技有限公司 2023-07-06 WO disclosed
US-20210147375-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-05-20 US disclosed
WO-2019192954-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-10-10 WO disclosed
US-20070122652-A1 Compound and organic electroluminescent device using same CANON KABUSHIKI KAISHA (JP) 2007-05-31 US disclosed
US-20070122652-A1 Compound and organic electroluminescent device using same CANON KABUSHIKI KAISHA (JP) 2007-05-31 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 (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-20070122652-A1 Compound and organic electroluminescent device using same OR10J3, LEF1, RPL19 PDK2 3230/4885ALDH1A1 1832/4885MAPK1 942/4885
US-20210147375-A1 MATERIALS FOR ELECTRONIC DEVICES PNMT, EFNA1, TES PDK2 1595/4885ALDH1A1 1820/4885MAPK1 3194/4885

“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.