SCHEMBL13098063

SCHEMBL13098063

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.76
▸ USP2 O75604 2/20 0.76
▸ LMNA P02545 2/20 0.76
▸ HIF1A Q16665 2/20 0.76
▸ NT5E P21589 2/20 0.76
▸ TOP2A P11388 2/20 0.76
▸ RELA Q04206 1/20 0.76
▸ SLC10A1 Q14973 2/20 0.70
▸ ALB P02768 2/20 0.69
▸ GPBAR1 Q8TDU6 2/20 0.69
▸ AKR1B10 O60218 1/20 0.69
▸ POLB P06746 1/20 0.69
▸ GLI1 P08151 1/20 0.69
▸ AKR1B1 P15121 1/20 0.69
▸ DPP4 P27487 1/20 0.69
▸ RORC P51449 1/20 0.69
▸ SAE1 Q9UBE0 1/20 0.69
▸ UBA2 Q9UBT2 1/20 0.69
▸ CA9 Q16790 4/20 0.67
▸ CES2 O00748 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
SCHEMBL214201 1.00 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL16994315 1.00 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL13573802 1.00 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL15120375 1.00 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL16983599 1.00 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL2733084 1.00 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL6112842 1.00 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
Water SCHEMBL8586171 0.99 PTPN1 (0.75) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL210109 0.93 PTPN1 (0.73) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL5956480 0.92 PTPN1 (0.72) PTPN1USP2LMNAHIF1ANT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017051422-A1 COMPOSITIONS COMPRISING TRITERPENOIDS REGENERA PHARMA LTD. (IL) 2017-03-30 — — WO disclosed
WO-2017051423-A1 COMPOSITIONS COMPRISING TRITERPENOIDS REGENERA PHARMA LTD. (IL) 2017-03-30 — — WO disclosed
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-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-2007141390-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIVIRAL 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
WO-2007141392-A2 COMPOSITIONS COMPRISING BETULONIC ACID 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 PTPN1 3135/4885USP2 4097/4885LMNA 3692/4885
US-20100273801-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS BET1, CUTA, BECN1 PTPN1 4436/4885USP2 4024/4885LMNA 3874/4885
US-20100190795-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS BET1, BECN1, PGGT1B PTPN1 4542/4885USP2 4443/4885LMNA 990/4885

“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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