SCHEMBL20174400

SCHEMBL20174400

c1ccc2c(c1)-c1ccccc1C21c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)cc2-c2c1oc1ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
ALDH1A1 P00352 6/20 0.33
HSD17B10 Q99714 6/20 0.33
KDM4E B2RXH2 5/20 0.33
ATM Q13315 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 5/20 0.33
HPGD P15428 5/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
TP53 P04637 2/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL20174417 0.92 ALK (0.33) S1PR1S1PR3ENPP3ENPP1
SCHEMBL22326573 0.90 S1PR1 (0.32) S1PR1S1PR3ALDH1A1HSD17B10KDM4E
SCHEMBL20174316 0.89 ALDH1A1 (0.34) S1PR1S1PR3ALDH1A1HSD17B10KDM4E
SCHEMBL20174345 0.89 ALDH1A1 (0.37) S1PR1S1PR3ALDH1A1HSD17B10KDM4E
SCHEMBL20174352 0.89 ALDH1A1 (0.34) ALDH1A1HSD17B10KDM4EATMRAB9A
SCHEMBL20174726 0.88 ALDH1A1 (0.36) ALDH1A1HSD17B10KDM4EATMRAB9A
SCHEMBL20174376 0.87 MAPK14 (0.37) ALDH1A1HSD17B10KDM4ERAB9ACYP1A2
SCHEMBL20174358 0.86 ALDH1A1 (0.36) ALDH1A1HSD17B10KDM4EATMRAB9A
SCHEMBL20174399 0.86 KDM4E (0.38) ALDH1A1HSD17B10KDM4ERAB9ACYP1A2
SCHEMBL20174353 0.86 ALDH1A1 (0.36) ALDH1A1HSD17B10KDM4EATMRAB9A

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 S1PR1 2330/4885S1PR3 2837/4885ALDH1A1 33/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG S1PR1 2330/4885S1PR3 2837/4885ALDH1A1 33/4885

“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.