SCHEMBL29372292

SCHEMBL29372292

CC(C)(C)OC(=O)NC1CCCc2cc(O)ccc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 12/20 0.48
TAS1R1 Q7RTX1 12/20 0.48
TAS1R2 Q8TE23 9/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL20683057 0.96 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL26073271 0.96 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL3304298 0.92 CA1 (0.44) TAS1R3TAS1R1TAS1R2ESR1ESR2
SCHEMBL2804784 0.90 TRPV1 (0.50) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL21183420 0.88 LMNA (0.51) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL30444207 0.86 KMT2A (0.47) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL16809869 0.86 KMT2A (0.47) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL3534933 0.85 ALDH1A1 (0.52) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL3534929 0.85 ALDH1A1 (0.52) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL1724065 0.84 MEN1 (0.41) TAS1R3TAS1R1TAS1R2MEN1KMT2A

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-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2022-05-17 US disclosed
EP-3728248-B1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARM SPA (IT) 2022-02-02 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-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors ROCK1, ROCK2, RHOA TAS1R3 4781/4885TAS1R1 4789/4885TAS1R2 4823/4885

“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.