SCHEMBL23964442

SCHEMBL23964442

CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)c(O)c2O)c(O)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.56
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
ALOX5AP P20292 2/20 0.44
FEN1 P39748 2/20 0.44
CA1 P00915 2/20 0.44
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TYR P14679 3/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX15 P16050 3/20 0.42
CYP1A2 P05177 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ATP2A2 P16615 1/20 0.42
ATP2A3 Q93084 1/20 0.42
ALOX12 P18054 1/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL47580 0.89 CA2 (0.68) CA2GABRA1GABRB2ALOX5APFEN1
SCHEMBL30938109 0.89 CA2 (0.68) CA2GABRA1GABRB2ALOX5APFEN1
SCHEMBL17363913 0.80 CA2 (0.52) CA2GABRA1GABRB2ALOX5APFEN1
SCHEMBL29488108 0.79 CA2 (0.56) CA2GABRA1GABRB2ALOX5APFEN1
SCHEMBL3169896 0.79 CA2 (0.56) CA2GABRA1GABRB2ALOX5APFEN1
SCHEMBL2210615 0.77 CA2 (0.76) CA2GABRA1GABRB2CA1ALDH1A1
Lithium Ion SCHEMBL4307076 0.77 CA2 (0.54) CA2GABRA1GABRB2ALOX5APFEN1
SCHEMBL3461711 0.77 GABRA1 (0.64) CA2GABRA1GABRB2CA1ALDH1A1
SCHEMBL11477439 0.76 CA2 (0.59) CA2GABRA1GABRB2ALOX5APFEN1
SCHEMBL6229514 0.75 CA2 (0.52) CA2GABRA1GABRB2ALOX5APFEN1

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-20210338834-A1 DEGRADABLE HYALURONIC ACID HYDROGELS ASCENDIS PHARMA A/S (DK) 2021-11-04 US disclosed
US-20210330798-A1 TREATMENT OF INFECTIONS ASCENDIS PHARMA A/S (DK) 2021-10-28 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 (2 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-20210338834-A1 DEGRADABLE HYALURONIC ACID HYDROGELS CD44, HPSE, MMP13 CA2 1811/4885GABRA1 1608/4885GABRB2 3558/4885
US-20210330798-A1 TREATMENT OF INFECTIONS H1-10, PM20D2, ELANE CA2 992/4885GABRA1 4041/4885GABRB2 4734/4885

“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.