SCHEMBL18200872

SCHEMBL18200872

CC1(C)OB(c2ccc(-c3nc4ccccc4c4c3ccc3ccccc34)c3ncccc23)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.33
CCR1 P32246 2/20 0.32
CCR5 P51681 2/20 0.32
CCR8 P51685 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 2/20 0.32
AHR P35869 1/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
TP53 P04637 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MMP2 P08253 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
MMP9 P14780 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
MMP8 P22894 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
SCHEMBL21757249 0.88 LPL (0.33) L3MBTL1CYP3A4TSHRHIF1ATDP1
SCHEMBL18200704 0.78 TOP2A (0.42) TOP2ACCR1CCR5CCR8L3MBTL1
SCHEMBL18200694 0.78 TOP1 (0.43) TOP2ACCR1CCR5CCR8CYP3A4
SCHEMBL18200792 0.78 LPL (0.32) LMNAMAPTSMN1; SMN2
SCHEMBL18200755 0.78 LPL (0.32)
SCHEMBL18200869 0.77 CYP1A2 (0.45) TOP2ACCR1CCR5CCR8L3MBTL1
SCHEMBL27344335 0.77 CYP3A4 (0.41) L3MBTL1CYP3A4AHRLMNAHSP90AA1
SCHEMBL27343178 0.77 LPL (0.39) CCR1CCR5CCR8L3MBTL1CYP3A4
SCHEMBL27344685 0.75 LPL (0.43) CCR1CCR5CCR8L3MBTL1CYP3A4
SCHEMBL17997975 0.75 LIPG (0.45) CCR1CCR5CCR8L3MBTL1CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 US disclosed
EP-3088392-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2016-11-02 EP 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 (1 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 TOP2A 3861/4885CCR1 4579/4885CCR5 3810/4885

“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.