SCHEMBL23802011

SCHEMBL23802011

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL15458984 0.84
SCHEMBL15459316 0.84 SREBF1 (0.33)
SCHEMBL23802158 0.82 ALDH1A1 (0.32) GABRA1GABRB2ALDH1A1LMNASMN1; SMN2
SCHEMBL3654667 0.81 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2CNR1CNR2
SCHEMBL23802251 0.76 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2
SCHEMBL23801952 0.75 ALDH1A1 (0.32) ALDH1A1LMNASMN1; SMN2
SCHEMBL23801983 0.75 CYP19A1 (0.33) GABRA1GABRB2ALDH1A1LMNASMN1; SMN2
SCHEMBL23801957 0.74 CNR2 (0.39) GABRA1GABRB2ALDH1A1LMNASMN1; SMN2
SCHEMBL23801999 0.74 HMGCR (0.30)
SCHEMBL23801948 0.73 RARA (0.32) ALDH1A1LMNASMN1; SMN2CNR1CNR2

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 GABRA1 341/4885GABRB2 476/4885ALDH1A1 441/4885

“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.