SCHEMBL20174640

SCHEMBL20174640

c1ccc2c(c1)-c1ccccc1C21c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)cc2-c2c1sc1ccccc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALOX5 P09917 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL20174661 0.92 ALK (0.33) L3MBTL1S1PR1S1PR3
SCHEMBL20174574 0.90 ALDH1A1 (0.35) L3MBTL1HDAC8HDAC6
SCHEMBL20174588 0.89 ALDH1A1 (0.32) L3MBTL1S1PR1S1PR3
SCHEMBL20174573 0.89 MEN1 (0.33) L3MBTL1
SCHEMBL20174667 0.88 MEN1 (0.33)
SCHEMBL20174637 0.87 PDK2 (0.34) L3MBTL1HSP90AA1
SCHEMBL20174582 0.86 L3MBTL1 (0.34) L3MBTL1ALOX5
SCHEMBL20174565 0.86 MEN1 (0.34) L3MBTL1HSP90AA1
SCHEMBL20174645 0.86 KDM4E (0.38) L3MBTL1
SCHEMBL20174581 0.85 TSHR (0.36) L3MBTL1HDAC8HDAC6

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 L3MBTL1 2838/4885S1PR1 2330/4885S1PR3 2837/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG L3MBTL1 2838/4885S1PR1 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.