SCHEMBL20174417

SCHEMBL20174417

CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)-c4c(oc6ccccc46)C54c5ccccc5-c5ccccc54)nc(-c4cccc5ccccc45)n3)cc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 11/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
ENPP3 O14638 1/20 0.31
ENPP1 P22413 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
SCHEMBL20174400 0.92 S1PR1 (0.34) S1PR1S1PR3ENPP3ENPP1
SCHEMBL20174413 0.91 ALK (0.35) ALK
SCHEMBL20174415 0.87 ALK (0.34) ALK
SCHEMBL20174345 0.86 ALDH1A1 (0.37) S1PR1S1PR3ENPP3ENPP1
SCHEMBL22326573 0.85 S1PR1 (0.32) S1PR1S1PR3ENPP3ENPP1
SCHEMBL20174411 0.85 ALK (0.33) ALK
SCHEMBL20174316 0.84 ALDH1A1 (0.34) S1PR1S1PR3ENPP3ENPP1
SCHEMBL20174352 0.83 ALDH1A1 (0.34) ENPP3ENPP1
SCHEMBL20174358 0.83 ALDH1A1 (0.36) ENPP3ENPP1
SCHEMBL20174299 0.83 ENPP3 (0.31) S1PR1S1PR3ENPP3ENPP1

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 ALK 2665/4885S1PR1 2330/4885S1PR3 2837/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG ALK 2665/4885S1PR1 2330/4885S1PR3 2837/4885

“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.