SCHEMBL21999528

SCHEMBL21999528

CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)cc3)c3cccc4c3oc3ccccc34)cccc21

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX5 P09917 1/20 0.31
PIM1 P11309 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 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
SCHEMBL21999495 0.96 ALOX5 (0.33) LMNAPOLBMAPTTSHRHTT
SCHEMBL21999500 0.95 ALOX5 (0.34) LMNAPOLBMAPTTSHRHTT
SCHEMBL21999477 0.95 ALOX5 (0.34) LMNAPOLBMAPTTSHRHTT
SCHEMBL22000217 0.94 ALOX5 (0.34) LMNAPOLBMAPTTSHRHTT
SCHEMBL21999149 0.94 PLA2G2A (0.31)
SCHEMBL24428101 0.94
SCHEMBL21999150 0.93 PLA2G2A (0.31) LMNAPOLBMAPTTSHRHTT
SCHEMBL21999613 0.93 PLA2G2A (0.30) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL24428100 0.93 PLA2G2A (0.30)
SCHEMBL21999530 0.93 PLA2G2A (0.30)

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
EP-3596066-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-05-18 EP disclosed
US-20200152883-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-14 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-20200152883-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, TRDMT1, ESD LMNA 3701/4885POLB 2909/4885MAPT 280/4885

“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.