SCHEMBL21037381

SCHEMBL21037381

CCCCCCCc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(CCCCCCC)(CCCCCCC)c4ccccc4-5)ccc2-3)c2c3ccccc3c(N(c3ccc(CCCCCCC)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(CCCCCCC)(CCCCCCC)c5ccccc5-6)ccc3-4)c3ccccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
GPR3 P46089 1/20 0.34
DHODH Q02127 1/20 0.32
RARB P10826 5/20 0.32
MPL P40238 1/20 0.32
HSD11B1 P28845 3/20 0.31
STAT3 P40763 1/20 0.31
RARA P10276 1/20 0.31
RARG P13631 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.30
KCNH2 Q12809 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL21036878 0.95 CTSV (0.35) CTSVCTSLGPR3DHODHRARB
SCHEMBL21037138 0.92 PDK2 (0.31)
SCHEMBL26431165 0.92 PDK2 (0.30)
SCHEMBL21037378 0.91 PDK2 (0.32)
SCHEMBL26431162 0.89
SCHEMBL26431141 0.89 PDK2 (0.31)
SCHEMBL21037508 0.88 PDK2 (0.31)
SCHEMBL26431176 0.88 ICMT (0.33)
SCHEMBL26431151 0.87 ICMT (0.33)
SCHEMBL21037363 0.87 PDK2 (0.32)

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 4 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
US-20210024481-A1 MATERIALS FOR ORGANIC ELETROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-01-28 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 (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-20210024481-A1 MATERIALS FOR ORGANIC ELETROLUMINESCENT DEVICES GLB1, EFNA1, L1CAM CTSV 609/4885CTSL 1047/4885GPR3 3709/4885
US-11639339-B2 Materials for organic electroluminescent devices L1CAM, EFNA1, EPCAM CTSV 2130/4885CTSL 4344/4885GPR3 4042/4885

“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.