SCHEMBL20174727

SCHEMBL20174727

c1ccc2c(c1)-c1ccccc1C21c2cccc(-c3nc4ccccc4s3)c2-c2c1oc1ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
RAB9A P51151 5/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
NPC1 O15118 4/20 0.41
GAA P10253 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 2/20 0.39
POLB P06746 3/20 0.37
THRB P10828 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 2/20 0.36
NPY5R Q15761 1/20 0.36

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
SCHEMBL22326556 0.84 MAPT (0.41) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL20174430 0.80 NPC1 (0.41) MAPTALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL24648303 0.79 KDM4E (0.53) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL20174675 0.79 KDM4E (0.45) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL20174424 0.78 ACACA (0.38) MAPTKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL20174546 0.77 KDM4E (0.45) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL22326544 0.76 RAB9A (0.43) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL20174333 0.73 KMT2A (0.33) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL20174327 0.73 PDK2 (0.34) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL20174745 0.73 NTRK1 (0.37) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A

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 MAPT 811/4885KDM4E 3633/4885ALDH1A1 33/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG MAPT 811/4885KDM4E 3633/4885ALDH1A1 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.