SCHEMBL20174533

SCHEMBL20174533

CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4c-5sc5ccccc45)nc(-c4ccc5ccccc5c4)n3)cc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 8/20 0.34
S1PR4 O95977 6/20 0.34
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PIM1 P11309 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL20174520 0.94 S1PR5 (0.37) S1PR5S1PR4CNR1CNR2PIM1
SCHEMBL20174532 0.88 F9 (0.31)
SCHEMBL20179280 0.87 S1PR5 (0.37) S1PR5S1PR4PIM1
SCHEMBL20174493 0.87 S1PR5 (0.37) S1PR5S1PR4PIM1
SCHEMBL20174495 0.86 CYP1A1 (0.38) S1PR5S1PR4PIM1
SCHEMBL22326533 0.85 MEN1 (0.34)
SCHEMBL20174445 0.85 MEN1 (0.34)
SCHEMBL20174660 0.85 ALK (0.35) S1PR5S1PR4SLC6A2SLC6A4SLC6A3
SCHEMBL20174535 0.85 L3MBTL1 (0.31) CNR1CNR2
SCHEMBL20174467 0.84 PDK2 (0.34)

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 1783/4885CNR1 3082/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG S1PR5 3034/4885S1PR4 1783/4885CNR1 3082/4885

“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.