SCHEMBL3782934

SCHEMBL3782934

C=C(C)[C@@H]1CC[C@]2(C(=O)F)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NT5E P21589 7/20 0.69
PRKCD Q05655 1/20 0.69
PRKCG P05129 2/20 0.67
CETP P11597 1/20 0.67
PTPN1 P18031 1/20 0.66

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
SCHEMBL3781773 0.93 NT5E (0.61) NT5EPRKCDPRKCGCETPPTPN1
SCHEMBL10214539 0.93 NT5E (0.71) NT5EPRKCDPRKCGCETPPTPN1
SCHEMBL960045 0.92 NT5E (0.81) NT5EPRKCDPRKCGCETPPTPN1
SCHEMBL10214450 0.92 NT5E (0.81) NT5EPRKCDPRKCGCETPPTPN1
SCHEMBL9127145 0.92 NT5E (0.81) NT5EPRKCDPRKCGCETPPTPN1
SCHEMBL23626136 0.92 NT5E (0.81) NT5EPRKCDPRKCGCETPPTPN1
SCHEMBL13637670 0.92 NT5E (0.81) NT5EPRKCDPRKCGCETPPTPN1
SCHEMBL10214498 0.92 NT5E (0.81) NT5EPRKCDPRKCGCETPPTPN1
SCHEMBL12557823 0.92 NT5E (0.81) NT5EPRKCDPRKCGCETPPTPN1
SCHEMBL13890817 0.92 NT5E (0.81) NT5EPRKCDPRKCGCETPPTPN1

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-7858606-B2 Triterpenoid derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2010-12-28 US disclosed
US-20040087560-A1 Leukemia; anticancer agents; antiproliferative agents UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2004-05-06 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-20040087560-A1 Leukemia; anticancer agents; antiproliferative agents MCL1, MKI67, CCNA1 NT5E 3968/4885PRKCD 1782/4885PRKCG 1274/4885

“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.