SCHEMBL17816892

SCHEMBL17816892

CC1(C)c2ccccc2-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc4-c4ccccc43)cc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.36
IDO1 P14902 1/20 0.32
AHR P35869 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PGR P06401 1/20 0.31
MAOA P21397 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
SCHEMBL30192513 1.00 ALK (0.36) ALKIDO1AHRKDM4EMEN1
SCHEMBL16544678 1.00 ALK (0.36) ALKIDO1AHRKDM4EMEN1
SCHEMBL25145444 0.96 ALK (0.34) ALKIDO1AHRKDM4EMEN1
SCHEMBL17879428 0.95 ALK (0.33) ALKAHRKDM4EMEN1NPC1
SCHEMBL23278325 0.95 ALK (0.33) ALK
SCHEMBL23278218 0.95 ALK (0.33) ALK
SCHEMBL17690165 0.95 ALK (0.37) ALKIDO1AHRKDM4EMEN1
SCHEMBL19163662 0.94 ALK (0.33) ALK
SCHEMBL25145499 0.94 ALK (0.35) ALKIDO1
SCHEMBL19168617 0.94 ALK (0.34) ALKAHRKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227269-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
US-10573818-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2020-02-25 US disclosed
US-10431751-B2 Compound and organic electronic device comprising the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2019-10-01 US disclosed
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
US-20170213970-A1 Novel compound and organic electronic device comprising the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2017-07-27 US disclosed
US-20170213970-A1 Novel compound and organic electronic device comprising the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2017-07-27 US disclosed
WO-2016087017-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-06-09 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 (4 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-10431751-B2 Compound and organic electronic device comprising the same CHRM1, CHRM2, ESR1 ALK 596/4885IDO1 1958/4885AHR 906/4885
US-20170213970-A1 Novel compound and organic electronic device comprising the same CHRM1, CHRM2, ESR1 ALK 657/4885IDO1 2142/4885AHR 919/4885
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, LEF1, EFNA1 ALK 2540/4885IDO1 1734/4885AHR 3751/4885
US-10573818-B2 Materials for organic electroluminescent devices PIEZO1, LEF1, EFNA1 ALK 2540/4885IDO1 1734/4885AHR 3751/4885

“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.