SCHEMBL23802158

SCHEMBL23802158

CC(C)(C)c1cc(CO)cc(C2OCCO2)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 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
SCHEMBL23801952 0.87 ALDH1A1 (0.32) ALDH1A1LMNASMN1; SMN2
SCHEMBL23802011 0.82 GABRA1 (0.35) ALDH1A1LMNASMN1; SMN2GABRA1GABRB2
SCHEMBL23801967 0.80 ALDH1A1 (0.30) ALDH1A1LMNASMN1; SMN2
SCHEMBL19589407 0.77 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2
SCHEMBL15458994 0.75 ACHE (0.30)
SCHEMBL23802251 0.75 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2
SCHEMBL23801945 0.75 FFAR4 (0.33)
SCHEMBL17393750 0.74 GABRA1 (0.46) ALDH1A1LMNAGABRA1GABRB2
SCHEMBL962215 0.74 GABRA1 (0.52) ALDH1A1LMNAGABRA1GABRB2
SCHEMBL23801948 0.72 RARA (0.32) ALDH1A1LMNASMN1; SMN2

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-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 US disclosed
US-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 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-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS ITGB1, ITGAV, ITGA1 ALDH1A1 441/4885LMNA 1799/4885SMN1; SMN2 2205/4885

“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.