SCHEMBL20174723

SCHEMBL20174723

c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4oc6ccccc6c4-5)cc3)nc(-c3cccc4ccccc34)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
MAPT P10636 4/20 0.34
MAPK1 P28482 3/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 3/20 0.34
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 2/20 0.34
PDK2 Q15119 3/20 0.33
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
CA12 O43570 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
SCHEMBL20174372 0.94 ALDH1A1 (0.35) ALDH1A1MAPTMAPK1KDM4EHSD17B10
SCHEMBL20174326 0.94 MAPK1 (0.33) ALDH1A1MAPTMAPK1KDM4EHSD17B10
SCHEMBL20174317 0.94 ALDH1A1 (0.35) ALDH1A1MAPTMAPK1KDM4EHSD17B10
SCHEMBL20174358 0.94 ALDH1A1 (0.36) ALDH1A1MAPTMAPK1KDM4EHSD17B10
SCHEMBL20174323 0.92 MAPK1 (0.33) ALDH1A1MAPTMAPK1KDM4EHSD17B10
SCHEMBL20174393 0.92 KMT2A (0.37) ALDH1A1MAPTMAPK1KDM4EHPGD
SCHEMBL20174342 0.92 KMT2A (0.37) ALDH1A1MAPTMAPK1KDM4EHPGD
SCHEMBL19008461 0.92 KMT2A (0.37) ALDH1A1MAPTMAPK1KDM4EHPGD
SCHEMBL20174386 0.91 PDK2 (0.33) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL20174316 0.91 ALDH1A1 (0.34) ALDH1A1MAPTMAPK1KDM4EHSD17B10

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 ALDH1A1 33/4885MAPT 811/4885MAPK1 3742/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG ALDH1A1 33/4885MAPT 811/4885MAPK1 3742/4885

“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.