SCHEMBL802649

SCHEMBL802649

Cc1ccc2[nH]c3cc4c(cc3c2c1)-c1cc2c(cc1C4(C)C)[nH]c1ccc(C)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.47
ACHE P22303 2/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 7/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PGR P06401 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL21376967 0.91 KIF11 (0.45) KIF11ACHEMEN1KMT2ANPC1
SCHEMBL802645 0.81 AHR (0.59) KIF11MEN1KMT2AALDH1A1KDM4E
SCHEMBL22106242 0.80 PDK2 (0.41) KIF11MEN1KMT2ANPC1POLB
SCHEMBL21973496 0.80 KIF11 (0.46) KIF11ACHEMEN1KMT2ANPC1
SCHEMBL13828021 0.79 KIF11 (0.62) KIF11ACHEMEN1KMT2ANPC1
SCHEMBL29362354 0.79 KIF11 (0.67) KIF11ACHEMEN1KMT2ANPC1
SCHEMBL345690 0.79 KIF11 (0.67) KIF11ACHEMEN1KMT2ANPC1
SCHEMBL21346765 0.79 KIF11 (0.57) KIF11MEN1KMT2ANPC1POLB
SCHEMBL802821 0.77 PGR (0.40) KIF11KDM4EMAPTPGR
SCHEMBL18351619 0.77 AHR (0.53) KIF11MEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9537105-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-01-03 US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 US disclosed
WO-2010136109-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-02 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 (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-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 KIF11 2124/4885ACHE 812/4885MEN1 3164/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 KIF11 2124/4885ACHE 812/4885MEN1 3164/4885

“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.