SCHEMBL30711484

SCHEMBL30711484

OCC1CCc2ccccc2O1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.55
HTR1A P08908 9/20 0.52
SIGMAR1 Q99720 2/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
HTR1D P28221 6/20 0.49
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43

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
SCHEMBL5722925 1.00 CA2 (0.55) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL7346709 1.00 CA2 (0.55) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL936563 1.00 CA2 (0.55) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL7145238 0.89 CA2 (0.46) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL4823736 0.89 CA2 (0.60) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL4823732 0.89 CA2 (0.60) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL8935393 0.86 CA2 (0.52) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL8935402 0.86 CA2 (0.52) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL10645332 0.86 CA2 (0.52) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL4936349 0.83 CA2 (0.56) CA2HTR1ASIGMAR1ADRA2AADRA2B

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-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 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-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, JAK1, JAK3 CA2 4086/4885HTR1A 2632/4885SIGMAR1 2017/4885

“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.