SCHEMBL14085259

SCHEMBL14085259

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.55
▸ CES2 O00748 1/20 0.55
▸ TOP2A P11388 1/20 0.55
▸ CES1 P23141 1/20 0.55
▸ PTGES O14684 2/20 0.53
▸ GPBAR1 Q8TDU6 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NT5E P21589 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GLI1 P08151 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RELA Q04206 1/20 0.43
▸ RORC P51449 2/20 0.42
▸ EGLN2 Q96KS0 5/20 0.42
▸ EGLN1 Q9GZT9 5/20 0.42
▸ EGLN3 Q9H6Z9 5/20 0.42
▸ P4HTM Q9NXG6 5/20 0.42
▸ ALB P02768 2/20 0.42

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
SCHEMBL10081999 0.86 PTPN1 (0.52) PTPN1CES2TOP2ACES1PTGES
SCHEMBL7747717 0.86 LMNA (0.58) PTPN1CES2TOP2ACES1PTGES
SCHEMBL6119147 0.86 GPBAR1 (0.65) PTPN1CES2CES1GPBAR1LMNA
SCHEMBL6715660 0.86 LMNA (0.58) PTPN1CES2TOP2ACES1PTGES
Glochidone SCHEMBL31721106 0.82 PTPN1 (0.56) PTPN1CES2TOP2ACES1PTGES
SCHEMBL6112667 0.79 GPBAR1 (0.47) PTPN1GPBAR1LMNANT5ESMN1; SMN2
Lupenone SCHEMBL1224027 0.77 GPBAR1 (0.75) PTPN1CES2TOP2ACES1PTGES
Lupenone SCHEMBL13908727 0.77 GPBAR1 (0.75) PTPN1CES2TOP2ACES1PTGES
Lupenone SCHEMBL13851777 0.77 GPBAR1 (0.75) PTPN1CES2TOP2ACES1PTGES
Lupenone SCHEMBL13692854 0.77 GPBAR1 (0.75) PTPN1CES2TOP2ACES1PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20070259842-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS BET1, PGGT1B, RABGGTB PTPN1 2823/4885CES2 2548/4885TOP2A 437/4885
US-20070259839-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS BET1, PGGT1B, RABGGTB PTPN1 2823/4885CES2 2548/4885TOP2A 437/4885
US-20070088009-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS BET1, PGGT1B, RABGGTB PTPN1 2823/4885CES2 2548/4885TOP2A 437/4885

“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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