SCHEMBL22326573

SCHEMBL22326573

c1ccc2c(c1)-c1ccccc1C21c2ccc(-c3cc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)cc2-c2c1oc1ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
PIM1 P11309 2/20 0.32
ALDH1A1 P00352 5/20 0.32
HSD17B10 Q99714 5/20 0.32
KDM4E B2RXH2 4/20 0.32
ATM Q13315 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 4/20 0.31
HPGD P15428 4/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
GAA P10253 1/20 0.31
TP53 P04637 2/20 0.31
MAPK1 P28482 2/20 0.31
SMN1; SMN2 Q16637 2/20 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
SCHEMBL20174316 0.95 ALDH1A1 (0.34) S1PR1S1PR3PIM1ALDH1A1HSD17B10
SCHEMBL20174347 0.92 MAPK1 (0.33) ALDH1A1HSD17B10KDM4EATMMAPT
SCHEMBL20174324 0.92 MAPT (0.35) PIM1ALDH1A1HSD17B10KDM4EATM
SCHEMBL20174352 0.92 ALDH1A1 (0.34) ALDH1A1HSD17B10KDM4EATMCYP1A2
SCHEMBL20174356 0.91 KMT2A (0.36) PIM1ALDH1A1HSD17B10KDM4EATM
SCHEMBL20174400 0.90 S1PR1 (0.34) S1PR1S1PR3ALDH1A1HSD17B10KDM4E
SCHEMBL20174355 0.87 KMT2A (0.33) ALDH1A1HSD17B10KDM4EATMCYP1A2
SCHEMBL20174326 0.86 MAPK1 (0.33) ALDH1A1HSD17B10KDM4EATMMAPT
SCHEMBL20174323 0.86 MAPK1 (0.33) ALDH1A1HSD17B10KDM4EATMMAPT
SCHEMBL20174723 0.86 ALDH1A1 (0.34) ALDH1A1HSD17B10KDM4EATMCYP1A2

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 1 patent. 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

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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG S1PR1 2330/4885S1PR3 2837/4885PIM1 2804/4885

“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.