SCHEMBL5800555

SCHEMBL5800555

C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.61
▸ SLC10A1 Q14973 2/20 0.59
▸ PTGES O14684 1/20 0.59
▸ PRKCD Q05655 1/20 0.58
▸ PTPN1 P18031 3/20 0.57
▸ NT5E P21589 2/20 0.57
▸ USP2 O75604 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ TOP2A P11388 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ CA9 Q16790 4/20 0.55
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51

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
SCHEMBL5800321 0.98 CETP (0.63) CETPSLC10A1PTGESPRKCDPTPN1
SCHEMBL14388723 0.93 CETP (0.69) CETPSLC10A1PTGESPRKCDPTPN1
SCHEMBL14110309 0.93 CETP (0.69) CETPSLC10A1PTGESPRKCDPTPN1
SCHEMBL5798459 0.93 CETP (0.69) CETPSLC10A1PTGESPRKCDPTPN1
SCHEMBL2257652 0.93 CETP (0.69) CETPSLC10A1PTGESPRKCDPTPN1
SCHEMBL14191491 0.91 CETP (0.71) CETPSLC10A1PTGESPRKCDPTPN1
Lupeol Linoleate SCHEMBL935903 0.91 CETP (0.61) CETPPTGESPRKCDPTPN1NT5E
Lupeol Linoleate SCHEMBL935900 0.91 CETP (0.61) CETPPTGESPRKCDPTPN1NT5E
SCHEMBL14108321 0.87 CETP (0.68) CETPSLC10A1PTGESPRKCDPTPN1
SCHEMBL5800558 0.86 PTPN1 (0.59) CETPSLC10A1PTPN1NT5EUSP2

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
WO-2006050158-A2 HAIR AND SKIN PROTECTING COMPOSITIONS BASED ON ESTERS OR ETHERS OF BETULIN GLINSKI JAN (US) 2006-05-11 — — WO disclosed
US-20060093571-A1 Hair and skin protecting compositions based on esters or ethers of betulin GLINSKI JAN 2006-05-04 — — 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-20060093571-A1 Hair and skin protecting compositions based on esters or ethers of betulin BET1, CUTA, EBP CETP 93/4885SLC10A1 1608/4885PTGES 289/4885

“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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