SCHEMBL17796453

SCHEMBL17796453

Cc1ccc(C)n1-c1cc(CO)n(C)n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ BCHE P06276 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.31
▸ BRD9 Q9H8M2 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL15244291 0.86 BCHE (0.34) ALDH1A1BCHEHSD17B10
SCHEMBL17796551 0.82 KDM4E (0.31) KDM4EALDH1A1L3MBTL1
SCHEMBL17796523 0.80 CTSB (0.45) KDM4EALDH1A1L3MBTL1HSD17B10NR4A1
SCHEMBL16446409 0.79 — —
SCHEMBL17796385 0.78 KDM4E (0.38) KDM4EALDH1A1L3MBTL1PDE10A
SCHEMBL17796471 0.77 SETDB1 (0.40) KDM4EALDH1A1L3MBTL1
SCHEMBL6125259 0.77 BAZ2B (0.37) KDM4EALDH1A1L3MBTL1BCHEBRD9
SCHEMBL17796730 0.74 — —
SCHEMBL243532 0.72 — —
SCHEMBL1064764 0.72 KDM4E (0.33) KDM4EALDH1A1L3MBTL1NR4A1

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 KDM4E 1049/4885ALDH1A1 4734/4885L3MBTL1 4586/4885

“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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