SCHEMBL30456628

SCHEMBL30456628

Cc1ccc2c(c1)OC[C@@H]2C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.42
CYP19A1 P11511 3/20 0.41
TERT O14746 1/20 0.41
ALDH1A1 P00352 1/20 0.37
ALDH2 P05091 1/20 0.37
CA2 P00918 1/20 0.37
HCRTR2 O43614 1/20 0.36
FFAR1 O14842 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
ALOX15B O15296 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR2C P28335 2/20 0.35

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
SCHEMBL6327487 1.00 TOP2A (0.42) TOP2ACYP19A1TERTALDH1A1ALDH2
SCHEMBL21933120 1.00 TOP2A (0.42) TOP2ACYP19A1TERTALDH1A1ALDH2
SCHEMBL7920992 0.84 HCRTR2 (0.45) TOP2ACYP19A1ALDH1A1CA2HCRTR2
SCHEMBL21933121 0.81 ADRA2A (0.41) CYP19A1TERTALDH1A1ALDH2CHRNB2
SCHEMBL13630579 0.81 ADRA2A (0.41) CYP19A1TERTALDH1A1ALDH2CHRNB2
SCHEMBL13616553 0.81 ADRA2A (0.41) CYP19A1TERTALDH1A1ALDH2CHRNB2
SCHEMBL5536383 0.78 MAP3K14 (0.42) CYP19A1TERTALDH1A1ALDH2CA2
SCHEMBL22867760 0.78 CYP19A1 (0.41) CYP19A1TERTALDH1A1ALDH2CA2
SCHEMBL5536375 0.78 CYP19A1 (0.47) CYP19A1TERTALDH1A1ALDH2CA2
SCHEMBL10159264 0.78 MAP3K14 (0.50) TOP2ACYP19A1HCRTR2HTR2C

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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 TOP2A 4268/4885CYP19A1 2926/4885TERT 3692/4885

“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.