SCHEMBL24212286

SCHEMBL24212286

CC1(C)CCc2c(O)cc(-c3cc(F)cc(F)c3)cc2O1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ OSBP P22059 8/20 0.37
▸ CYP19A1 P11511 3/20 0.37
▸ CTSB P07858 1/20 0.37
▸ MALT1 Q9UDY8 1/20 0.35
▸ PDE4D Q08499 1/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ CTSL P07711 1/20 0.33

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
SCHEMBL31545427 1.00 PDE5A (0.38) PDE5ATP53CYP3A4OSBPCYP19A1
SCHEMBL31545958 0.88 CYP19A1 (0.39) PDE5ATP53CYP3A4OSBPCYP19A1
SCHEMBL31545700 0.82 PDE5A (0.40) PDE5ATP53CYP3A4CYP19A1CTSB
SCHEMBL24212285 0.82 PDE5A (0.40) PDE5ATP53CYP3A4CYP19A1CTSB
SCHEMBL24212514 0.81 CNR1 (0.44) PDE5ATP53CYP3A4OSBPCYP19A1
SCHEMBL3246245 0.78 ALDH1A1 (0.49) PDE5AOSBPCYP19A1CTSBMALT1
SCHEMBL31545960 0.78 ALDH1A1 (0.49) PDE5AOSBPCYP19A1CTSBMALT1
SCHEMBL24212288 0.77 PDE5A (0.37) PDE5ATP53CYP3A4OSBPCYP19A1
SCHEMBL24212287 0.75 CYP19A1 (0.39) PDE5ATP53CYP3A4OSBPCYP19A1
SCHEMBL24212289 0.75 AKT1 (0.38) PDE5ATP53CYP3A4CYP19A1CTSB

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-20220017482-A1 Synthetic Antibacterial Compounds and Uses Thereof UNIV MCMASTER (CA) 2022-01-20 — — 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-20220017482-A1 Synthetic Antibacterial Compounds and Uses Thereof SPOUT1, NRDC, MRPL21 PDE5A 2426/4885TP53 3468/4885CYP3A4 2781/4885

“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.

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