SCHEMBL17796670

SCHEMBL17796670

Cc1ccc(C)n1-c1cc(C=O)n(C)n1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.33
▸ LMNA P02545 3/20 0.33
▸ TRIM24 O15164 1/20 0.33
▸ TRIM33 Q9UPN9 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ ALOX15 P16050 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CASP1 P29466 2/20 0.31
▸ THRB P10828 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ BRD9 Q9H8M2 1/20 0.30
▸ NR4A1 P22736 1/20 0.30

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
SCHEMBL17796721 0.78 ALDH1A1 (0.34) ALDH1A1LMNAKDM4EMAPTMEN1
SCHEMBL17796722 0.78 ALDH1A1 (0.34) ALDH1A1LMNAKDM4EMAPTMEN1
SCHEMBL6125259 0.77 BAZ2B (0.37) ALDH1A1LMNAKDM4EL3MBTL1MAPT
SCHEMBL894594 0.72 — —
SCHEMBL1064764 0.72 KDM4E (0.33) ALDH1A1KDM4EL3MBTL1NR4A1
SCHEMBL10537 0.72 KDM4E (0.38) ALDH1A1KDM4EL3MBTL1NR4A1
SCHEMBL16446616 0.72 KDM4E (0.33) ALDH1A1KDM4EL3MBTL1
SCHEMBL17796551 0.71 KDM4E (0.31) ALDH1A1LMNAKDM4EL3MBTL1MAPT
SCHEMBL14108169 0.71 — —
SCHEMBL16866129 0.70 NR4A1 (0.36) ALDH1A1LMNAKDM4EL3MBTL1MAPT

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-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 — — US disclosed
EP-3029031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-08 — — EP 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-20160159773-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA ALDH1A1 4734/4885LMNA 2866/4885TRIM24 1833/4885

“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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