SCHEMBL20174697

SCHEMBL20174697

Clc1cccc2c1-c1c(oc3ccccc13)C21c2ccccc2-c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMUR2 Q9GZQ4 1/20 0.36
PDK2 Q15119 2/20 0.36
AHR P35869 5/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NTRK1 P04629 1/20 0.31
PLK3 Q9H4B4 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
WEE1 P30291 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 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
SCHEMBL20175197 0.90 PDK2 (0.37) NMUR2PDK2AHR
SCHEMBL20174745 0.83 NTRK1 (0.37) NMUR2AHRCYP1A2ALDH1A1LMNA
SCHEMBL20199017 0.80 ALK (0.32)
SCHEMBL20175220 0.80
SCHEMBL18732267 0.80 AHR (0.39) NMUR2PDK2AHRCYP1A2CYP2A6
SCHEMBL18732021 0.79 AHR (0.38) NMUR2PDK2AHRPIM1CSNK2A2
SCHEMBL20199299 0.77 PDK2 (0.42) PDK2NTRK1PLK3
SCHEMBL20175087 0.77 ALK (0.31) PDK2
SCHEMBL20174696 0.77 LPL (0.30)
SCHEMBL20199007 0.76 ALK (0.30)

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-10781366-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-09-22 US disclosed
US-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 US disclosed
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING 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 (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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG NMUR2 1779/4885PDK2 651/4885AHR 745/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG NMUR2 1779/4885PDK2 651/4885AHR 745/4885
US-10781366-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG NMUR2 1779/4885PDK2 651/4885AHR 745/4885
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG NMUR2 1779/4885PDK2 651/4885AHR 745/4885

“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.