SCHEMBL13098060

SCHEMBL13098060

C=C(C)[C@@H]1CC[C@]2(COC3CCCCO3)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@]43C)C12

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 4/20 0.69
▸ SLC10A1 Q14973 1/20 0.65
▸ PTGES O14684 2/20 0.60
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ NT5E P21589 2/20 0.55
▸ PRKCD Q05655 1/20 0.54
▸ PTPN1 P18031 1/20 0.54
▸ CETP P11597 1/20 0.53

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
SCHEMBL14374214 1.00 CA9 (0.69) CA9SLC10A1PTGESCA1CA2
SCHEMBL5454212 0.92 CA9 (0.58) CA9SLC10A1PTGESCA1CA2
SCHEMBL5454208 0.92 CA9 (0.58) CA9SLC10A1PTGESCA1CA2
SCHEMBL13293181 0.88 PTPN1 (0.68) CA9SLC10A1CA1CA2NT5E
SCHEMBL5448725 0.88 PTPN1 (0.68) CA9SLC10A1CA1CA2NT5E
SCHEMBL13098042 0.88 PTPN1 (0.68) CA9SLC10A1CA1CA2NT5E
SCHEMBL14374360 0.88 PTPN1 (0.56) CA9SLC10A1PTGESCA1CA2
SCHEMBL5452790 0.88 CA9 (0.55) CA9SLC10A1PTGESCA1CA2
SCHEMBL5444226 0.87 CA9 (0.54) CA9SLC10A1PTGESCA1CA2
Betulin Diacetate SCHEMBL10523254 0.86 SLC10A1 (0.85) CA9SLC10A1PTGESCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273801-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS Valition teknillinen tutikimuskeskus (FI) 2010-10-28 — — US disclosed
US-20100273801-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS Valition teknillinen tutikimuskeskus (FI) 2010-10-28 — — US disclosed
US-20100196290-A1 COMPOSITIONS COMPRISING BETULONIC ACID VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2010-08-05 — — US disclosed
US-20100196290-A1 COMPOSITIONS COMPRISING BETULONIC ACID VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2010-08-05 — — US disclosed
US-20100190795-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2010-07-29 — — US disclosed
US-20100190795-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2010-07-29 — — US disclosed
WO-2007141389-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 — — WO disclosed
WO-2007141391-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 — — WO 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 (3 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-20100196290-A1 COMPOSITIONS COMPRISING BETULONIC ACID BET1, PGGT1B, RABGGTB CA9 451/4885SLC10A1 2832/4885PTGES 610/4885
US-20100273801-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS BET1, CUTA, BECN1 CA9 3167/4885SLC10A1 2928/4885PTGES 947/4885
US-20100190795-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS BET1, BECN1, PGGT1B CA9 4612/4885SLC10A1 3369/4885PTGES 533/4885

“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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