SCHEMBL20160871

SCHEMBL20160871

CCN(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccccc1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.36
RXRA P19793 7/20 0.34
RXRB P28702 7/20 0.34
RXRG P48443 7/20 0.34
MLNR O43193 1/20 0.34
NR1I2 O75469 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL20291312 0.91 PDK2 (0.37) PDK2RXRARXRBRXRGMLNR
SCHEMBL16577665 0.88 PDK2 (0.36) PDK2RXRARXRBRXRGNR3C2
SCHEMBL20291311 0.86 RXRA (0.41) PDK2RXRARXRBRXRGMLNR
SCHEMBL25942487 0.86 PDK2 (0.40) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL31256547 0.86 PDK2 (0.40) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL23343410 0.86 NR3C2 (0.43) PDK2RXRARXRBRXRGMLNR
SCHEMBL24904950 0.86 PDK2 (0.39) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL23719241 0.86 PDK2 (0.39) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL16577667 0.85 PDK2 (0.35) PDK2RXRARXRBRXRGNR3C2
SCHEMBL18212120 0.85 PDK2 (0.38) PDK2MLNRNR1I2CHRM2ADRB1

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
US-10580996-B2 Polycyclic compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2020-03-03 US disclosed
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-17 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-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY2, NR2E3, CRY1 PDK2 2455/4885RXRA 215/4885RXRB 546/4885
US-10580996-B2 Polycyclic compound and organic light-emitting element comprising same CRY2, NR2E3, CRY1 PDK2 2455/4885RXRA 215/4885RXRB 546/4885

“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.