SCHEMBL21999200

SCHEMBL21999200

CC1(C)c2ccccc2-c2ccc(N(c3ccc(Br)cc3)c3ccc4sc5ccccc5c4c3)cc21

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.32
GPR3 P46089 1/20 0.32
PDK2 Q15119 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL21392634 0.93 GPR3 (0.37) ALKGPR3PDK2MAPTALDH1A1
SCHEMBL18164897 0.92 GPR3 (0.31) GPR3PDK2MAPTALDH1A1POLB
SCHEMBL16124274 0.92 PDK2 (0.36) ALKGPR3PDK2MAPTALDH1A1
SCHEMBL905072 0.91 PDK2 (0.32) ALKPDK2
SCHEMBL22057726 0.91 ALDH1A1 (0.36) ALKGPR3PDK2MAPTALDH1A1
SCHEMBL21141221 0.90 GPR3 (0.34) ALKGPR3PDK2MAPTALDH1A1
SCHEMBL17690168 0.90 GPR3 (0.34) ALKGPR3PDK2MAPTALDH1A1
SCHEMBL16883233 0.90 GPR3 (0.34) ALKGPR3PDK2MAPTALDH1A1
SCHEMBL17126481 0.89 PDK2 (0.32) ALKGPR3PDK2MAPTALDH1A1
SCHEMBL16124271 0.89 PDK2 (0.32) ALKGPR3PDK2MAPTALDH1A1

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
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
CN-103889945-A New triphenylene derivative and organic electroluminescent element using said derivative [9, 10] HODOGAYA CHEMICAL CO LTD 2014-06-25 CN 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 ALK 3400/4885GPR3 4607/4885PDK2 1021/4885

“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.