SCHEMBL20174357

SCHEMBL20174357

c1ccc(-c2cc(-c3cccc4ccccc34)cc(-c3ccccc3-c3ccc4c(c3)-c3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL20174312 0.93 MAPK1 (0.32) MAPK1KMT2AALDH1A1MAPTHPGD
SCHEMBL20174355 0.91 KMT2A (0.33) ENPP3ENPP1MAPK1KMT2AKDM4E
SCHEMBL20174347 0.90 MAPK1 (0.33) ENPP3ENPP1MAPK1KMT2AKDM4E
SCHEMBL20174352 0.88 ALDH1A1 (0.34) ENPP3ENPP1MAPK1KMT2AKDM4E
SCHEMBL20174363 0.88 PDK2 (0.34) MAPK1KMT2AKDM4EALDH1A1MAPT
SCHEMBL20174316 0.87 ALDH1A1 (0.34) ENPP3ENPP1MAPK1KMT2AKDM4E
SCHEMBL20174326 0.86 MAPK1 (0.33) ENPP3ENPP1MAPK1KMT2AKDM4E
SCHEMBL20174389 0.86 CYP1A1 (0.36) MAPK1KMT2AKDM4EALDH1A1TP53
SCHEMBL20174324 0.85 MAPT (0.35) MAPK1KMT2AKDM4EALDH1A1TP53
SCHEMBL20174323 0.85 MAPK1 (0.33) ENPP3ENPP1MAPK1KMT2AKDM4E

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-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 (1 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-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG ENPP3 3214/4885ENPP1 2905/4885MAPK1 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.