SCHEMBL29331830

SCHEMBL29331830

C#Cc1c(C(C)(C)C)cc(C(C)(C)C)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ GAA P10253 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ GLA P06280 2/20 0.55
▸ DAO P14920 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL14872275 0.82 KDM4E (0.79) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL21388420 0.66 MAPK1 (0.46) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL17403519 0.65 ALDH1A1 (0.40) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL1791619 0.63 ALDH1A1 (0.38) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL24126325 0.63 KDM4E (0.40) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL1794431 0.62 ALDH1A1 (0.37) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL21590039 0.62 ALDH1A1 (0.41) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL2199168 0.62 KDM4E (0.55) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL15492448 0.62 ATM (0.64) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL8421248 0.61 CA2 (0.50) KDM4EALDH1A1HSD17B10

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-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 — — 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-12043621-B2 Small molecule inhibitors of Interleukin-4 IL4, IL2, IL4I1 KDM4E 586/4885ALDH1A1 3144/4885GAA 4334/4885

“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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