SCHEMBL24619771

SCHEMBL24619771

CC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2CN(C[C@@H](C)I)C3=O)CC1O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.35
▸ ALOX5 P09917 5/20 0.33
▸ NR1H4 Q96RI1 2/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ ABCG2 Q9UNQ0 2/20 0.32
▸ PTGES O14684 1/20 0.32

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
SCHEMBL23941478 0.91 ALOX5 (0.35) APPALOX5NR1H4BACE1PTPN1
SCHEMBL22863233 0.91 ALOX5 (0.35) APPALOX5NR1H4BACE1PTPN1
SCHEMBL23941689 0.91 ALOX5 (0.35) APPALOX5NR1H4BACE1PTPN1
SCHEMBL23940981 0.91 ALOX5 (0.40) APPALOX5NR1H4BACE1PTPN1
SCHEMBL9882380 0.91 ALOX5 (0.40) APPALOX5NR1H4BACE1PTPN1
SCHEMBL13663953 0.89 APP (0.36) APPALOX5NR1H4BACE1PTPN1
SCHEMBL9880203 0.89 APP (0.34) APPALOX5NR1H4BACE1PTPN1
SCHEMBL13746651 0.88 APP (0.35) APPALOX5NR1H4BACE1PTPN1
SCHEMBL9880208 0.88 APP (0.35) APPALOX5NR1H4BACE1PTPN1
SCHEMBL22863326 0.88 APP (0.35) APPALOX5NR1H4BACE1PTPN1

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-20220218664-A1 DRUG AND METHOD FOR TREATING OR PREVENTING COMPLICATIONS FROM DIABETES, USING SAID DRUG SHOWA UNIVERSITY (JP) 2022-07-14 — — 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-20220218664-A1 DRUG AND METHOD FOR TREATING OR PREVENTING COMPLICATIONS FROM DIABETES, USING SAID DRUG SLC5A2, SLC5A1, IAPP APP 728/4885ALOX5 71/4885NR1H4 493/4885

“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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