SCHEMBL20174520

SCHEMBL20174520

c1ccc2c(c1)-c1ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)cc1C21c2ccccc2-c2sc3ccccc3c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 8/20 0.37
S1PR4 O95977 6/20 0.37
PIM1 P11309 1/20 0.33
ALOX5 P09917 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
CYP1A2 P05177 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
AR P10275 1/20 0.31
MAPT P10636 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
SCHEMBL20174533 0.94 S1PR5 (0.34) S1PR5S1PR4PIM1CNR1CNR2
SCHEMBL20174493 0.93 S1PR5 (0.37) S1PR5S1PR4PIM1ALOX5CYP1A2
SCHEMBL20179280 0.93 S1PR5 (0.37) S1PR5S1PR4PIM1ALOX5CYP1A2
SCHEMBL20174495 0.92 CYP1A1 (0.38) S1PR5S1PR4PIM1CYP1A2SMN1; SMN2
SCHEMBL22326533 0.91 MEN1 (0.34) ALOX5SMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL20174445 0.91 MEN1 (0.34) ALOX5SMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL20174467 0.90 PDK2 (0.34) ALOX5SMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL18590017 0.90 S1PR5 (0.38) S1PR5S1PR4PIM1ALOX5CNR1
SCHEMBL20174502 0.89 CYP1A1 (0.39) S1PR5S1PR4PIM1CYP1A2ALDH1A1
SCHEMBL18590054 0.89 S1PR5 (0.39) S1PR5S1PR4PIM1ALOX5CNR1

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 1783/4885PIM1 2804/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG S1PR5 3034/4885S1PR4 1783/4885PIM1 2804/4885

“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.