SCHEMBL4659804

SCHEMBL4659804

C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](OC(=O)CCN(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRKCD Q05655 1/20 0.67
▸ CETP P11597 1/20 0.65
▸ PTGES O14684 2/20 0.63
▸ PTPN1 P18031 2/20 0.62
▸ CES2 O00748 1/20 0.62
▸ TOP2A P11388 1/20 0.62
▸ CES1 P23141 1/20 0.62
▸ CA9 Q16790 1/20 0.57
▸ NT5E P21589 6/20 0.56
▸ NR1H4 Q96RI1 1/20 0.56
▸ RORC P51449 1/20 0.55
▸ PRKCG P05129 1/20 0.55

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
SCHEMBL5956497 1.00 PRKCD (0.67) PRKCDCETPPTGESPTPN1CES2
Hydrochloric Acid SCHEMBL4660172 0.99 PRKCD (0.66) PRKCDCETPPTGESPTPN1CES2
SCHEMBL6741284 0.94 PRKCD (0.75) PRKCDCETPPTGESPTPN1CES2
SCHEMBL7746354 0.90 PRKCD (0.81) PRKCDCETPPTGESPTPN1CES2
SCHEMBL5956717 0.90 PRKCD (0.81) PRKCDCETPPTGESPTPN1CES2
SCHEMBL6741278 0.90 PRKCD (0.81) PRKCDCETPPTGESPTPN1CES2
SCHEMBL13908747 0.90 PRKCD (0.67) PRKCDCETPPTGESPTPN1CES2
SCHEMBL5956741 0.89 CETP (0.82) PRKCDCETPPTGESPTPN1CES2
SCHEMBL15496672 0.89 CETP (0.69) PRKCDCETPPTGESPTPN1CES2
SCHEMBL564480 0.89 CETP (0.69) PRKCDCETPPTGESPTPN1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465914-B1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS UNIV MINNESOTA (US) 2008-12-17 — — EP claimed
US-7199114-B2 Triterpene quaternary salts as biologically active surfactants THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-04-03 — — US claimed
EP-1465914-B1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS UNIV MINNESOTA (US) 2008-12-17 — — EP disclosed
US-7410958-B2 Triterpene quaternary salts as biologically active surfactants REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-12 — — US disclosed
US-20070259839-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS REGENTS OF THE UNIVERSITY OF MINNESOTA 2007-11-08 — — US disclosed
US-20070259842-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS REGENTS OF THE UNIVERSITY OF MINNESOTA 2007-11-08 — — US disclosed
US-20070244081-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS REGENTS OF THE UNIVERSITY OF MINNESTOA 2007-10-18 — — US disclosed
US-20070088009-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS KRASUTSKY PAVEL A 2007-04-19 — — US disclosed
US-7199114-B2 Triterpene quaternary salts as biologically active surfactants THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-04-03 — — US disclosed
US-20060003948-A1 Compositions that include a triterpene and a carrier REGENTS OF THE UNIVERSITY OF MINNESOTA 2006-01-05 — — US disclosed
US-20050059642-A1 Triterpene quaternary salts as biologically active surfactants REGENTS OF THE UNIVRSITY OF MINNESOTA 2005-03-17 — — US disclosed
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil REGENTS OF THE UNIVERSITY OF MINNESOTA 2005-01-20 — — US disclosed
EP-1465914-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2004-10-13 — — EP disclosed
WO-2003062260-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2003-07-31 — — 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 (7 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-20070259842-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS BET1, PGGT1B, RABGGTB PRKCD 2456/4885CETP 190/4885PTGES 2110/4885
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil BET1, VRK1, VRK2 PRKCD 460/4885CETP 2190/4885PTGES 183/4885
US-20070259839-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS BET1, PGGT1B, RABGGTB PRKCD 2456/4885CETP 190/4885PTGES 2110/4885
US-20050059642-A1 Triterpene quaternary salts as biologically active surfactants BET1, PGGT1B, RABGGTB PRKCD 2456/4885CETP 190/4885PTGES 2110/4885
US-20070244081-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS BET1, PGGT1B, RABGGTB PRKCD 2456/4885CETP 190/4885PTGES 2110/4885
US-20070088009-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS BET1, PGGT1B, RABGGTB PRKCD 2456/4885CETP 190/4885PTGES 2110/4885
US-20060003948-A1 Compositions that include a triterpene and a carrier PGGT1B, BET1, CYP51A1 PRKCD 2858/4885CETP 280/4885PTGES 856/4885

“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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