SCHEMBL16922980

SCHEMBL16922980

Cc1ccc(C2(c3ccc(C)cc3)c3cc(Br)ccc3-c3ccc(-c4ccccc4)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.45
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
FLT3 P36888 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PGR P06401 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
SCHEMBL15553456 0.99 PDK2 (0.44) PDK2ALDH1A1MAPK1FLT3KDM4E
SCHEMBL3176035 0.97 ALDH1A1 (0.41) PDK2ALDH1A1MAPK1FLT3KDM4E
SCHEMBL12781959 0.96 PDK2 (0.44) PDK2ALDH1A1MAPK1FLT3KDM4E
SCHEMBL16852587 0.93 PDK2 (0.44) PDK2ALDH1A1MAPK1FLT3KDM4E
SCHEMBL12781965 0.93 PDK2 (0.46) PDK2ALDH1A1MAPK1FLT3KDM4E
SCHEMBL16922978 0.93 MAPK1 (0.45) PDK2ALDH1A1MAPK1KDM4EHPGD
SCHEMBL16922981 0.90 MAPK1 (0.45) PDK2ALDH1A1MAPK1KDM4EHPGD
SCHEMBL3852176 0.90 PDK2 (0.41) PDK2ALDH1A1MAPK1KDM4EMEN1
SCHEMBL12635475 0.89 MAPK1 (0.48) PDK2ALDH1A1MAPK1FLT3KDM4E
SCHEMBL16852597 0.87 PDK2 (0.44) PDK2ALDH1A1MAPK1FLT3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11258018-B2 Compounds and organic electronic devices MERCK PATENT GMBH (DE) 2022-02-22 US disclosed
US-20190348605-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-11-14 US disclosed
US-20170317285-A1 Compounds and Organic Electronic Devices MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
US-20170317285-A1 Compounds and Organic Electronic Devices MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
US-9768391-B2 Derivatives of 2-diarylaminofluorene and organic electronic compounds containing them MERCK PATENT GMBH (DE) 2017-09-19 US disclosed
US-9768391-B2 Derivatives of 2-diarylaminofluorene and organic electronic compounds containing them MERCK PATENT GMBH (DE) 2017-09-19 US disclosed
EP-2875699-B1 DERIVATES OF 2-DIARYLAMINOFLUOREN AND ORGANIC ELECTRONIC DEVICES COMPRISING THE SAME MERCK PATENT GMBH (DE) 2017-02-15 EP disclosed
US-20150207075-A1 DERIVATIVES OF 2-DIARYLAMINOFLUORENE AND ORGANIC ELECTRONIC COMPOUNDS CONTAINING THEM MERCK PATENT GMBH (DE) 2015-07-23 US disclosed
US-20150207075-A1 DERIVATIVES OF 2-DIARYLAMINOFLUORENE AND ORGANIC ELECTRONIC COMPOUNDS CONTAINING THEM MERCK PATENT GMBH (DE) 2015-07-23 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 (4 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-20150207075-A1 DERIVATIVES OF 2-DIARYLAMINOFLUORENE AND ORGANIC ELECTRONIC COMPOUNDS CONTAINING THEM DDT, AFF2, CYP2F1 PDK2 718/4885ALDH1A1 349/4885MAPK1 2110/4885
US-20190348605-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES ETV6, CYP2C19, AFF2 PDK2 1406/4885ALDH1A1 408/4885MAPK1 2317/4885
US-20170317285-A1 Compounds and Organic Electronic Devices ETV6, CYP2C19, AFF2 PDK2 1406/4885ALDH1A1 408/4885MAPK1 2317/4885
US-11258018-B2 Compounds and organic electronic devices ETV6, CYP2C19, AFF2 PDK2 1406/4885ALDH1A1 408/4885MAPK1 2317/4885

“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.