SCHEMBL24345795

SCHEMBL24345795

CC(=O)CC(C)C1CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
EPHX1 P07099 4/20 0.32
MMP2 P08253 3/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
VKORC1 Q9BQB6 2/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP14 P50281 1/20 0.32
RAB9A P51151 2/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL4742218 0.93 ALDH1A1 (0.42) ALDH1A1TDP1EPHX1MMP2CA12
SCHEMBL17715691 0.93 ALDH1A1 (0.42) ALDH1A1TDP1EPHX1MMP2CA12
SCHEMBL15492764 0.91
SCHEMBL16887721 0.80 EPHX1 (0.34) ALDH1A1EPHX1MMP2CA12CA1
SCHEMBL28604781 0.77 SHBG (0.30)
SCHEMBL6769503 0.77 ALDH1A1 (0.42) ALDH1A1EPHX1MMP2CA12CA1
SCHEMBL28849068 0.76 ALDH1A1 (0.37) ALDH1A1EPHX1MMP2CA12CA1
SCHEMBL6808670 0.76 ALDH1A1 (0.55) ALDH1A1EPHX1MMP2CA12CA1
SCHEMBL8651989 0.76 ALDH1A1 (0.55) ALDH1A1EPHX1MMP2CA12CA1
SCHEMBL1208925 0.76 ALDH1A1 (0.55) ALDH1A1EPHX1MMP2CA12CA1

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-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-07 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-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, APOB ALDH1A1 3889/4885TDP1 1670/4885EPHX1 2878/4885

“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.