SCHEMBL21934584

SCHEMBL21934584

c1ccc(-c2cn3ccc(-c4ccc(-c5nc6ccccc6c6c(-c7ccccc7)cccc56)cc4)cc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.46
▸ TLR9 Q9NR96 1/20 0.44
▸ ALDH1A3 P47895 8/20 0.41
▸ ALDH1A2 O94788 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PLK4 O00444 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ RET P07949 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ ALK Q9UM73 1/20 0.40
▸ PDE10A Q9Y233 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SLC2A1 P11166 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL21934585 0.89 RAB9A (0.49) ALDH1A3ALDH1A2ALDH1A1SMN1; SMN2SLC2A1
SCHEMBL18200437 0.87 SCD (0.46) SCDTLR9ALDH1A3ALDH1A2ALDH1A1
SCHEMBL21934586 0.85 ALDH1A3 (0.60) ALDH1A3ALDH1A2ALDH1A1TP53SMN1; SMN2
SCHEMBL17915123 0.85 SCD (0.48) SCDTLR9ALDH1A3ALDH1A2ALDH1A1
SCHEMBL18201085 0.83 TLR9 (0.44) SCDTLR9ALDH1A3ALDH1A2ALDH1A1
SCHEMBL22606761 0.83 SCD (0.44) SCDTLR9ALDH1A3ALDH1A2ALDH1A1
SCHEMBL18200921 0.83 SCD (0.42) SCDTLR9ALDH1A3ALDH1A2ALDH1A1
SCHEMBL18846934 0.82 SCD (0.41) SCDTLR9ALDH1A3ALDH1A2ALDH1A1
SCHEMBL18846963 0.82 SCD (0.41) SCDTLR9ALDH1A3ALDH1A2ALDH1A1
SCHEMBL24609598 0.82 SCD (0.45) SCDTLR9ALDH1A3ALDH1A2ALDH1A1

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-20200131133-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME HEESUNG MATERIAL LTD. (KR) 2020-04-30 — — 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-20200131133-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 SCD 2886/4885TLR9 4467/4885ALDH1A3 177/4885

“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.

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