SCHEMBL16852597

SCHEMBL16852597

Cc1ccc(C2(C)c3cc(Br)ccc3-c3ccc(-c4ccc(-c5ccccc5)cc4)cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.44
PGR P06401 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
FLT3 P36888 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35

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
SCHEMBL16922980 0.87 PDK2 (0.45) PDK2PGRALDH1A1MAPK1FLT3
SCHEMBL15553456 0.86 PDK2 (0.44) PDK2PGRALDH1A1MAPK1FLT3
SCHEMBL15552689 0.85 PDK2 (0.45) PDK2PGRALDH1A1MAPK1MAPT
SCHEMBL3176035 0.84 ALDH1A1 (0.41) PDK2ALDH1A1MAPK1FLT3KDM4E
SCHEMBL18522433 0.83 PDK2 (0.44) PDK2PGRALDH1A1FLT3KDM4E
SCHEMBL12781959 0.83 PDK2 (0.44) PDK2PGRALDH1A1MAPK1FLT3
SCHEMBL19431869 0.82 PDK2 (0.45) PDK2MEN1KMT2ATDP1L3MBTL1
SCHEMBL16852587 0.81 PDK2 (0.44) PDK2ALDH1A1MAPK1FLT3KDM4E
SCHEMBL13911507 0.81 PDK2 (0.44) PDK2PGRALDH1A1KDM4EHPGD
SCHEMBL429037 0.81 MAPK1 (0.47) PDK2PGRALDH1A1MAPK1KDM4E

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
US-9595681-B2 Compounds and organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-03-14 US disclosed
US-9595681-B2 Compounds and organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-03-14 US disclosed
EP-2875092-B1 COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-02-15 EP disclosed
US-20150179953-A1 COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-06-25 US disclosed
US-20150179953-A1 COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-06-25 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-20150179953-A1 COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES AFF2, ETV6, PEF1 PDK2 1521/4885PGR 2575/4885ALDH1A1 457/4885

“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.