SCHEMBL20174559

SCHEMBL20174559

c1ccc2c(c1)-c1ccccc1C21c2ccc(-c3cc(-c4ccc5ccccc5c4)c4ccccc4n3)cc2-c2sc3ccccc3c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 8/20 0.39
S1PR4 O95977 6/20 0.39
ACACA Q13085 4/20 0.38
PIM1 P11309 1/20 0.35
CYP1A2 P05177 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL20174494 0.88 CYP1A1 (0.39) S1PR5S1PR4PIM1CYP1A2MEN1
SCHEMBL20174507 0.86 CYP1A1 (0.39) S1PR5S1PR4PIM1CYP1A2SMN1; SMN2
SCHEMBL22326568 0.85 CYP1A1 (0.36) S1PR5S1PR4PIM1CYP1A2CYP1A1
SCHEMBL20174509 0.85 CYP1A1 (0.36) S1PR5S1PR4PIM1CYP1A2CYP1A1
SCHEMBL20174504 0.85 CYP1A1 (0.36) S1PR5S1PR4PIM1CYP1A2SMN1; SMN2
SCHEMBL20174680 0.85 ACACA (0.37) S1PR5S1PR4ACACAPIM1CYP1A2
SCHEMBL20174495 0.84 CYP1A1 (0.38) S1PR5S1PR4PIM1CYP1A2SMN1; SMN2
SCHEMBL18590054 0.83 S1PR5 (0.39) S1PR5S1PR4PIM1CYP1A2ALDH1A1
SCHEMBL20174491 0.82 S1PR5 (0.37) S1PR5S1PR4CYP1A2SMN1; SMN2TP53
SCHEMBL20174506 0.82 CYP1A1 (0.37) S1PR5S1PR4PIM1CYP1A2CYP1A1

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 1783/4885ACACA 2815/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG S1PR5 3034/4885S1PR4 1783/4885ACACA 2815/4885

“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.