SCHEMBL20172810

SCHEMBL20172810

CN(c1ccccc1C1CCCCC1)c1cccc2c1oc1c(F)cccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
SLC6A4 P31645 2/20 0.32
PTGS2 P35354 1/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL20172845 0.90 CEL (0.33) CELGABRPGABRDGABRA1GABRB1
SCHEMBL20172854 0.90 CEL (0.36) CELSLC6A4PTGS2HTR1AHTR7
SCHEMBL20172805 0.86 CEL (0.34) CELPTGS2HTR1AHTR7KDM4E
SCHEMBL20650724 0.86 CEL (0.34) CELGABRPGABRDGABRA1GABRB1
SCHEMBL20172793 0.85 CYP2C19 (0.35) CELHTR1AHTR7RAB9AKDM4E
SCHEMBL20172839 0.85 HTR2C (0.36) CELSLC6A4PTGS2HTR1AHTR7
SCHEMBL20172863 0.84 CEL (0.33) CELHTR1AHTR7KDM4EMEN1
SCHEMBL21020273 0.84 ADRA2A (0.34) CELHTR1AHTR7KDM4EMEN1
SCHEMBL21982426 0.83 PTGS2 (0.33) CELPTGS2HTR1AHTR7KDM4E
SCHEMBL21020440 0.83 CEL (0.35) CELSLC6A4PTGS2HTR1AHTR7

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
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (2 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 CEL 3965/4885GABRP 3136/4885GABRD 1657/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 CEL 3965/4885GABRP 3136/4885GABRD 1657/4885

“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.