SCHEMBL24853605

SCHEMBL24853605

C/C=C(\C)c1nc2cccnc2c2oc(C)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ PRMT5 O14744 1/20 0.38
▸ CCR1 P32246 4/20 0.36
▸ CCR8 P51685 4/20 0.36
▸ KDM4E B2RXH2 4/20 0.33
▸ CCR5 P51681 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ COPS5 Q92905 1/20 0.33
▸ PKM P14618 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ HSP90AA1 P07900 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ COMT P21964 1/20 0.32

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
SCHEMBL24853588 0.90 ALDH1A1 (0.40) ALDH1A1PRMT5CCR1CCR8KDM4E
SCHEMBL24854103 0.74 PRMT5 (0.40) ALDH1A1PRMT5CCR1CCR8KDM4E
SCHEMBL24854123 0.73 ALDH1A1 (0.40) ALDH1A1PRMT5CCR1CCR8KDM4E
SCHEMBL24853603 0.72 PRMT5 (0.38) ALDH1A1PRMT5CCR1CCR8KDM4E
SCHEMBL24853807 0.67 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL19008280 0.62 NOS3 (0.43) ALDH1A1CCR1CCR8KDM4ECCR5
SCHEMBL20091084 0.62 NOS3 (0.43) ALDH1A1CCR1CCR8KDM4ECCR5
SCHEMBL6636369 0.62 PRMT5 (0.50) PRMT5CCR1CCR8KDM4ECCR5
SCHEMBL24853596 0.61 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL24854100 0.61 GPR3 (0.36) ALDH1A1KDM4EL3MBTL1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002427-A1 ORGANOMETALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-01-05 — — 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 (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-20230002427-A1 ORGANOMETALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME NONO, BMI1, LIG1 ALDH1A1 745/4885PRMT5 128/4885CCR1 4052/4885

“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.

Send feedback