SCHEMBL20174644

SCHEMBL20174644

c1ccc2c(c1)-c1ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)cc1C21c2ccccc2-c2c1sc1ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 7/20 0.35
S1PR4 O95977 6/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PIM1 P11309 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
AR P10275 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 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
SCHEMBL20174612 0.94 S1PR5 (0.36) S1PR5S1PR4L3MBTL1CYP1A2SMN1; SMN2
SCHEMBL20174660 0.94 ALK (0.35) S1PR5S1PR4L3MBTL1SLC6A2SLC6A4
SCHEMBL20174615 0.93 S1PR5 (0.35) S1PR5S1PR4CYP1A2SMN1; SMN2SLC6A2
SCHEMBL20174620 0.93 CYP1A1 (0.41) S1PR5S1PR4CYP1A2SMN1; SMN2PIM1
SCHEMBL22326567 0.93 CYP1A1 (0.41) S1PR5S1PR4CYP1A2SMN1; SMN2PIM1
SCHEMBL20174736 0.91 S1PR5 (0.35) S1PR5S1PR4L3MBTL1CYP1A2SMN1; SMN2
SCHEMBL19008468 0.91 MEN1 (0.35) L3MBTL1ALDH1A1HPGDKDM4EMAPT
SCHEMBL20174624 0.90 CYP1A1 (0.39) S1PR5S1PR4CYP1A2PIM1ALDH1A1
SCHEMBL20174619 0.90 CYP1A1 (0.39) S1PR5S1PR4CYP1A2PIM1ALDH1A1
SCHEMBL20174627 0.90 S1PR5 (0.34) S1PR5S1PR4L3MBTL1CYP1A2SMN1; SMN2

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 S1PR5 3034/4885S1PR4 1783/4885L3MBTL1 2838/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG S1PR5 3034/4885S1PR4 1783/4885L3MBTL1 2838/4885

“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.