SCHEMBL21297487

SCHEMBL21297487

C/C=C/C1CCCC2CC(=O)O[C@@]12C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 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
SCHEMBL29255568 0.71 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL29255565 0.71 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL21682142 0.66 SHBG (0.35) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL6890184 0.65 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19777585 0.64 TSHR (0.38) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19768585 0.60 TSHR (0.38) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19768587 0.59 LMNA (0.36) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19768617 0.59 LMNA (0.36) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19768603 0.59 LMNA (0.36) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL17964333 0.59 TSHR (0.44) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19

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-10392338-B2 Spirofuranone compounds, derivatives thereof and processes for their preparation Yissum Research Development Company, of The Hebrew University of Jerusalem Ltd. (IL) 2019-08-27 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-10392338-B2 Spirofuranone compounds, derivatives thereof and processes for their preparation PKD1, PKD2, DHPS ALDH1A1 532/4885CYP3A4 72/4885CYP2C9 297/4885

“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.