SCHEMBL26431504

SCHEMBL26431504

Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)Oc3cc(-c5ccc6c(c5)C(C)(C)c5cc(C)ccc5-6)ccc3N4c3ccc(-c4ccccc4)cc3)ccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.36
PGR P06401 3/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP2 O95551 1/20 0.32
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
FLT3 P36888 1/20 0.31
SLC2A1 P11166 1/20 0.31
ALDH1A3 P47895 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
LMNA P02545 1/20 0.30
MAOB P27338 2/20 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
SCHEMBL18544766 0.90 PDK2 (0.40) PDK2PGRTDP2CTSDBACE1
SCHEMBL26431502 0.87 PDK2 (0.34) PDK2PGRMEN1NPC1TP53
SCHEMBL26431501 0.86 PDK2 (0.36) PDK2PGRALDH1A1MEN1NPC1
SCHEMBL18544765 0.85 PGR (0.43) PDK2PGRALDH1A1
SCHEMBL22388892 0.85 PDK2 (0.32) PDK2PGR
SCHEMBL18267906 0.85 PGR (0.38) PDK2PGRKDM4EALDH1A1HSD17B10
SCHEMBL16502146 0.85 FAAH (0.39) KDM4EALDH1A1MEN1NPC1RAB9A
SCHEMBL18542190 0.84 PDK2 (0.35) PDK2PGRALDH1A1TDP2CTSD
SCHEMBL22600945 0.83 PDK2 (0.33) PDK2PGRTDP2CTSDBACE1
SCHEMBL11927609 0.83 PDK2 (0.31) PDK2

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 2 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

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 PDK2 1024/4885PGR 2032/4885KDM4E 3061/4885

“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.