SCHEMBL21037516

SCHEMBL21037516

CC(C)(C)c1ccc(-c2cc3c(Br)c4cc(-c5ccc(C(C)(C)C)cc5)c(-c5ccc(C(C)(C)C)cc5)cc4c(Br)c3cc2-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DGAT1 O75907 2/20 0.40
TSHR P16473 1/20 0.39
TYR P14679 1/20 0.38
HTR1D P28221 1/20 0.38
ADRA1A P35348 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MITF O75030 1/20 0.37
KMT2A Q03164 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
HDAC1 Q13547 1/20 0.35
GCGR P47871 1/20 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
SCHEMBL311736 0.87 KIF11 (0.48) KIF11NPC1RAB9ALMNATP53
SCHEMBL25677937 0.77 KIF11 (0.43) KIF11NPC1RAB9ALMNATP53
SCHEMBL30304254 0.76 ALDH1A1 (0.43) KIF11NPC1RAB9ALMNATSHR
SCHEMBL285463 0.76 ALDH1A1 (0.43) KIF11NPC1RAB9ALMNATSHR
SCHEMBL13433265 0.76 ALDH1A1 (0.43) KIF11NPC1RAB9ALMNATSHR
SCHEMBL31442918 0.75 KIF11 (0.42) KIF11NPC1RAB9ALMNATP53
SCHEMBL380068 0.75 KIF11 (0.47) KIF11NPC1RAB9ALMNATP53
SCHEMBL1823358 0.75 KIF11 (0.42) KIF11NPC1RAB9ALMNATP53
SCHEMBL28159071 0.73 KIF11 (0.37) KIF11NPC1RAB9ALMNATP53
SCHEMBL13321283 0.73 KIF11 (0.37) KIF11NPC1RAB9ALMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639339-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-05-02 US disclosed
US-11639339-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-05-02 US disclosed
WO-2019101835-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-05-31 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 (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-11639339-B2 Materials for organic electroluminescent devices L1CAM, EFNA1, EPCAM KIF11 2414/4885NPC1 2041/4885RAB9A 2567/4885

“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.