SCHEMBL20587479

SCHEMBL20587479

CC1(C)OB(c2ccc3nc(-c4ccnc5c4ccc4cccnc45)ccc3c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.40
CCR8 P51685 5/20 0.40
CCR5 P51681 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LPL P06858 4/20 0.38
LIPG Q9Y5X9 4/20 0.38
EGFR P00533 2/20 0.37
LMNA P02545 2/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MMP2 P08253 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL18943899 0.88 LPL (0.41) CCR1CCR8CCR5L3MBTL1LPL
SCHEMBL23016425 0.85 LPL (0.40) CCR1CCR8L3MBTL1LPLLIPG
SCHEMBL28612737 0.85 LPL (0.40) CCR1CCR8CCR5L3MBTL1LPL
SCHEMBL18943265 0.83 LPL (0.40) CCR1CCR8CCR5LPLLIPG
SCHEMBL23016225 0.81 LPL (0.39) CCR1CCR8CCR5LPLLIPG
SCHEMBL21622852 0.80 LPL (0.47) CCR1CCR8CCR5L3MBTL1LPL
SCHEMBL18944030 0.80 LPL (0.40) L3MBTL1LPLLIPGEGFRTDP1
SCHEMBL20587625 0.80 LPL (0.45) LPLLIPGEGFRKDM4EIDO1
SCHEMBL18943896 0.79 LPL (0.43) LPLLIPGEGFRIDO1TDO2
SCHEMBL18944035 0.78 LPL (0.45) LPLLIPGEGFRIDO1TDO2

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
CN-108290865-B Heterocyclic compound and organic light-emitting device using the same LT素材株式会社 2021-10-15 CN disclosed
US-10930857-B2 Heterocyclic compound and organic light emitting device using same LT MATERIALS CO., LTD. (KR) 2021-02-23 US disclosed
US-20180366652-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2018-12-20 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-10930857-B2 Heterocyclic compound and organic light emitting device using same CRY1, CRY2, CYBA CCR1 4379/4885CCR8 3064/4885CCR5 3771/4885
US-20180366652-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, CRY2, CYBA CCR1 4379/4885CCR8 3064/4885CCR5 3771/4885

“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.