SCHEMBL4389996

SCHEMBL4389996

[CH2]C(C)C(CO)CC(C)O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 3/20 0.33
LMNA P02545 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7247016 0.78 TDP1 (0.50) TDP1TSHRLMNAALDH1A1
SCHEMBL27981312 0.78 TDP1 (0.50) TDP1TSHRLMNAALDH1A1
SCHEMBL20577726 0.74 LMNA (0.46) TDP1TSHRLMNAALDH1A1
Propylene Glycol SCHEMBL9930705 0.70 TDP1 (0.77) TDP1TSHRLMNAALDH1A1
SCHEMBL3388764 0.67
SCHEMBL29022796 0.67
SCHEMBL2394452 0.67
SCHEMBL12319618 0.67
SCHEMBL270391 0.67
SCHEMBL20577856 0.67 LMNA (0.44) TDP1TSHRLMNA

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-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 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-20090306041-A1 Inhibitors of Bruton's tyrosine kinase BTK, SYK, LYN TDP1 322/4885TSHR 1637/4885LMNA 3433/4885

“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.