SCHEMBL22606761

SCHEMBL22606761

c1ccc(-c2cn3ccc(-c4ccc(-c5nc6c(-c7ccccc7)cccc6c6c5ccc5ccccc56)cc4)cc3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.40
▸ ALDH1A3 P47895 8/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ ALDH1A2 O94788 3/20 0.38
▸ PLK4 O00444 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ RET P07949 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35

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
SCHEMBL22606579 0.90 RAB9A (0.44) SCDALDH1A3ALDH1A1ALDH1A2SMN1; SMN2
SCHEMBL18200437 0.87 SCD (0.46) SCDTLR9ALDH1A3ALDH1A1ALDH1A2
SCHEMBL21934584 0.83 SCD (0.46) SCDTLR9ALDH1A3ALDH1A1ALDH1A2
SCHEMBL18201085 0.83 TLR9 (0.44) SCDTLR9ALDH1A3ALDH1A1ALDH1A2
SCHEMBL22606930 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL22606607 0.80 ALDH1A1 (0.43) ALDH1A1TP53SMN1; SMN2KDM4EMAPT
SCHEMBL22606603 0.80 ALDH1A1 (0.43) ALDH1A1TP53SMN1; SMN2KDM4EMAPT
SCHEMBL22606611 0.80 ALDH1A1 (0.43) ALDH1A1TP53SMN1; SMN2KDM4EMAPT
SCHEMBL22606939 0.80 ALDH1A1 (0.43) ALDH1A1TP53SMN1; SMN2KDM4EMAPT
SCHEMBL22606574 0.79 KDM4E (0.38) ALDH1A1PIM1SMN1; SMN2KDM4EMAPT

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-20200339513-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2020-10-29 — — 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-20200339513-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, CYP1A1 SCD 3143/4885TLR9 4535/4885ALDH1A3 214/4885

“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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