SCHEMBL5454249

SCHEMBL5454249

C=C(C)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(=C)C)CC[C@]5(CO)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 5/20 0.75
▸ PTPN1 P18031 2/20 0.75
▸ USP2 O75604 1/20 0.75
▸ LMNA P02545 1/20 0.75
▸ HIF1A Q16665 1/20 0.75
▸ TOP2A P11388 1/20 0.75
▸ RELA Q04206 1/20 0.75
▸ PTGES O14684 1/20 0.71
▸ CA9 Q16790 4/20 0.66
▸ SLC10A1 Q14973 2/20 0.65
▸ CA1 P00915 1/20 0.63
▸ CA2 P00918 1/20 0.63
▸ PRKCD Q05655 1/20 0.61
▸ CETP P11597 1/20 0.59

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
SCHEMBL13573803 1.00 NT5E (0.75) NT5EPTPN1USP2LMNAHIF1A
SCHEMBL6112807 0.93 PTGES (0.83) NT5EPTPN1USP2LMNAHIF1A
SCHEMBL14345008 0.93 PTGES (0.83) NT5EPTPN1USP2LMNAHIF1A
SCHEMBL2733537 0.93 PTGES (0.83) NT5EPTPN1USP2LMNAHIF1A
SCHEMBL10214430 0.93 PTGES (0.83) NT5EPTPN1USP2LMNAHIF1A
SCHEMBL214200 0.93 PTGES (0.83) NT5EPTPN1USP2LMNAHIF1A
Water SCHEMBL8584387 0.92 PTGES (0.82) NT5EPTPN1USP2LMNAHIF1A
SCHEMBL12325848 0.91 NT5E (0.77) NT5EPTPN1USP2LMNAHIF1A
SCHEMBL13855630 0.91 PTGES (0.72) NT5EPTPN1USP2LMNAHIF1A
SCHEMBL5956476 0.90 PTGES (0.74) NT5EPTPN1USP2LMNAHIF1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232577-A1 Synthetic pentacyclic triterpenoids and derivatives of betulinic acid and betulin ADVANCED LIFE SCIENCES, INC. (US) 2007-10-04 — — US disclosed
US-20070232577-A1 Synthetic pentacyclic triterpenoids and derivatives of betulinic acid and betulin ADVANCED LIFE SCIENCES, INC. (US) 2007-10-04 — — 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-20070232577-A1 Synthetic pentacyclic triterpenoids and derivatives of betulinic acid and betulin BET1, PGGT1B, BRCA1 NT5E 3553/4885PTPN1 4086/4885USP2 4593/4885

“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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