SCHEMBL20174401

SCHEMBL20174401

c1ccc2c(c1)-c1cc(-c3ccc4ccc5cccnc5c4n3)ccc1C21c2ccccc2-c2c1oc1ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.33
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 2/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MMP2 P08253 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL20174429 0.95 GRM4 (0.34) GRM4PDE4DKDM4EMAPTHPGD
SCHEMBL20174434 0.87 KDM4E (0.36) GRM4PDE4DKDM4EMAPTHPGD
SCHEMBL20174725 0.86 GRM4 (0.33) GRM4PDK2
SCHEMBL20174441 0.85 KDM4E (0.34) GRM4PDE4DKDM4EMAPTHPGD
SCHEMBL20174433 0.84 KDM4E (0.36) PDE4DKDM4EMAPTHPGDHSD17B10
SCHEMBL20174416 0.81 PDK2 (0.44) KDM4EMAPTHPGDHSD17B10ALDH1A1
SCHEMBL18904483 0.80 CCR1 (0.36) KDM4EMAPTALDH1A1TSHRGMNN
SCHEMBL17929474 0.80 CCR1 (0.36) KDM4EMAPTALDH1A1TSHRGMNN
SCHEMBL20174302 0.79 KDM4E (0.34) GRM4PDE4DKDM4EMAPTHPGD
SCHEMBL20174648 0.78 KDM4E (0.33) KDM4EMAPTALDH1A1TSHRGMNN

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-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 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 (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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG GRM4 1602/4885PDE4D 3941/4885KDM4E 3633/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG GRM4 1602/4885PDE4D 3941/4885KDM4E 3633/4885

“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.