SCHEMBL22970239

SCHEMBL22970239

c1ccc(-c2ccc3ccc(-c4ccc5ccc(-c6cc7cccnc7c7ncccc67)nc5c4)nc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 7/20 0.45
CCR1 P32246 3/20 0.41
CCR8 P51685 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.37
IGF1R P08069 1/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MMP2 P08253 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL22281872 0.96 TOP1 (0.49) TOP1CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL24454384 0.95 TOP1 (0.41) TOP1CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL22970256 0.95 TOP1 (0.44) TOP1CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL24454344 0.95 TOP1 (0.45) TOP1CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL24454192 0.94 TOP1 (0.50) TOP1CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL24454193 0.94 TOP1 (0.50) TOP1CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL24454127 0.94 CCR1 (0.42) TOP1CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL24453771 0.93 TOP1 (0.45) TOP1CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL22282260 0.93 TOP1 (0.46) TOP1CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL24475757 0.93 TOP1 (0.51) TOP1CCR1CCR8L3MBTL1ALDH1A1

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-20220165962-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME LT MATERIALS CO., LTD. (KR) 2022-05-26 US disclosed
WO-2021025356-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME 엘티소재주식회사 2021-02-11 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-20220165962-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME CRY1, CYP1A1, CYP1B1 TOP1 1363/4885CCR1 2080/4885CCR8 3415/4885

“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.