SCHEMBL21704032

SCHEMBL21704032

CC1(C)c2ccccc2-c2c1ccc1ccc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PTGER3 P43115 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ACMSD Q8TDX5 1/20 0.31
GSTP1 P09211 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL21704031 0.93 LPL (0.33) LPLLIPGESR1ESR2PTGER3
SCHEMBL26556584 0.93 LPL (0.32) LPLLIPGCHRNB2CHRNB4CHRNA3
SCHEMBL23917882 0.92 ESR1 (0.34) LPLLIPGESR1ESR2PTGER3
SCHEMBL21704029 0.92 PDK2 (0.30)
SCHEMBL23917992 0.91 MLNR (0.32)
SCHEMBL21704072 0.90 RARB (0.31)
SCHEMBL21703755 0.89 PLG (0.33) ESR1ESR2
SCHEMBL24255495 0.89 LPL (0.34) LPLLIPGESR1ESR2PTGER3
SCHEMBL21704028 0.88 PDK2 (0.31)
SCHEMBL21703828 0.88 GPR84 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230247898-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2023-08-03 US disclosed
US-20230247898-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2023-08-03 US disclosed
US-11653562-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-05-16 US disclosed
US-11653562-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-05-16 US disclosed
US-20210320252-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-10-14 US disclosed
WO-2020032574-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-02-13 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 (3 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-11653562-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same OPA1, ODC1, TMEM109 LPL 558/4885LIPG 1132/4885ESR1 289/4885
US-20210320252-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OPA1, ODC1, TMEM109 LPL 558/4885LIPG 1132/4885ESR1 289/4885
US-20230247898-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OPA1, ODC1, TMEM109 LPL 558/4885LIPG 1132/4885ESR1 289/4885

“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.