SCHEMBL22282102

SCHEMBL22282102

c1cnc(-c2ccc3ccc(-c4ccc5ccc(-c6ccc(-c7ccnc8c7ccc7cccnc78)cc6)nc5c4)cc3n2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.43
CCR8 P51685 5/20 0.43
CCR5 P51681 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TOP1 P11387 6/20 0.41
CYP3A4 P08684 3/20 0.39
LMNA P02545 2/20 0.39
CYP2D6 P10635 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GMNN O75496 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
THPO P40225 2/20 0.39
PMP22 Q01453 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSP90AA1 P07900 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL24453786 0.96 CCR1 (0.42) CCR1CCR8CCR5L3MBTL1TOP1
SCHEMBL24475376 0.95 NPC1 (0.40) CCR1CCR8CCR5L3MBTL1TOP1
SCHEMBL24475671 0.93 CCR1 (0.39) CCR1CCR8CCR5L3MBTL1TOP1
SCHEMBL24475528 0.93 CCR1 (0.44) CCR1CCR8CCR5L3MBTL1TOP1
SCHEMBL23016240 0.92 NPC1 (0.43) CCR1CCR8CCR5L3MBTL1TOP1
SCHEMBL22281625 0.91 CCR1 (0.43) CCR1CCR8CCR5L3MBTL1TOP1
SCHEMBL22281891 0.91 TOP1 (0.51) CCR1CCR8CCR5L3MBTL1TOP1
SCHEMBL24475605 0.90 TOP1 (0.50) CCR1CCR8CCR5L3MBTL1TOP1
SCHEMBL24475709 0.90 CYP3A4 (0.48) CCR1CCR8CCR5L3MBTL1TOP1
SCHEMBL24454165 0.90 CCR1 (0.44) CCR1CCR8CCR5L3MBTL1TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220173329-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE LT MATERIALS CO., LTD. (KR) 2022-06-02 US disclosed
WO-2020153740-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 엘티소재주식회사 2020-07-30 WO 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-20220173329-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE OXER1, OCIAD1, OR10J3 CCR1 384/4885CCR8 1104/4885CCR5 1258/4885

“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.