SCHEMBL214201

SCHEMBL214201

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

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
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
SCHEMBL13098063 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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117003604-A Synthesis method and flow of allyl fluoroalkyl compound 武汉大学 2023-11-07 — — CN claimed
US-20040087560-A1 Leukemia; anticancer agents; antiproliferative agents UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2004-05-06 — — US claimed
US-6369109-B1 Betulinic acid and derivatives thereof useful for the treatment of neuroectodermal tumor DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2002-04-09 — — US claimed
EP-1124842-A1 BETULINIC ACID AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF NEUROECTODERMAL TUMORS Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2001-08-22 — — EP claimed
WO-2000024762-A1 BETULINIC ACID AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF NEUROECTODERMAL TUMORS Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2000-05-04 — — WO claimed
CN-117003604-A Synthesis method and flow of allyl fluoroalkyl compound 武汉大学 2023-11-07 — — CN disclosed
US-9340513-B2 Propenoate derivatives of betulin GLAXOSMITHKLINE LLC (US) 2016-05-17 — — US disclosed
US-8969395-B2 Triterpenoid derivatives useful as antiproliferative agents UNIVERSIDADE DE COIMBRA (PT) 2015-03-03 — — US disclosed
US-20140350032-A1 PROPENOATE DERIVATIVES OF BETULIN GLAXOSMITHKLINE LLC 2014-11-27 — — US disclosed
EP-1484375-B2 Resin acid composition and use thereof FORCHEM OY (FI) 2014-07-23 — — EP disclosed
EP-2125860-B1 METHOD OF PREPARATION AND ISOLATION OF BETULIN DIACETATE FROM BIRCH BARK FROM PAPER MILLS AND ITS OPTIONAL PROCESSING TO BETULIN UNIVERZITA KARLOVA V PRAZE PRIRODOVEDECKA FAKULTA (CZ) 2012-12-19 — — EP disclosed
US-20120129901-A1 TRITERPENOID DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS UNIVERSIDADE DE COIMBRA (PT) 2012-05-24 — — US disclosed
US-6369109-B1 Betulinic acid and derivatives thereof useful for the treatment of neuroectodermal tumor DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2002-04-09 — — US disclosed
WO-2001090046-A1 TRITERPENOID DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2001-11-29 — — WO disclosed
EP-1124842-A1 BETULINIC ACID AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF NEUROECTODERMAL TUMORS Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2001-08-22 — — EP disclosed
WO-2000024762-A1 BETULINIC ACID AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF NEUROECTODERMAL TUMORS Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2000-05-04 — — WO disclosed
EP-0988311-A1 BETULINOL DERIVATIVES CORNELL RESEARCH FOUNDATION, INC. (US) 2000-03-29 — — EP disclosed
WO-1998055497-A1 BETULINOL DERIVATIVES CORNELL RESEARCH FOUNDATION, INC. (US) 1998-12-10 — — WO disclosed
WO-1998043936-A2 IMPROVED METHODS OF MANUFACTURING BETULINIC ACID THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1998-10-08 — — WO disclosed
US-5804575-A Methods of manufacturing betulinic acid THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1998-09-08 — — 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-20140350032-A1 PROPENOATE DERIVATIVES OF BETULIN BET1, TMPO, PGGT1B PTPN1 1792/4885USP2 4748/4885LMNA 3690/4885
US-20040087560-A1 Leukemia; anticancer agents; antiproliferative agents MCL1, MKI67, CCNA1 PTPN1 809/4885USP2 4014/4885LMNA 1681/4885
US-20120129901-A1 TRITERPENOID DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS ALPI, LSS, CYP46A1 PTPN1 3105/4885USP2 3233/4885LMNA 388/4885

“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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