SCHEMBL214200

SCHEMBL214200

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

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 2/20 0.83
▸ CA9 Q16790 4/20 0.77
▸ SLC10A1 Q14973 2/20 0.75
▸ NT5E P21589 3/20 0.73
▸ PTPN1 P18031 2/20 0.73
▸ USP2 O75604 1/20 0.73
▸ LMNA P02545 1/20 0.73
▸ HIF1A Q16665 1/20 0.73
▸ TOP2A P11388 1/20 0.73
▸ RELA Q04206 1/20 0.73
▸ PRKCD Q05655 1/20 0.64
▸ CA1 P00915 1/20 0.64
▸ CA2 P00918 1/20 0.64
▸ CETP P11597 1/20 0.62

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
SCHEMBL14345008 1.00 PTGES (0.83) PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL6112807 1.00 PTGES (0.83) PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL10214430 1.00 PTGES (0.83) PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL2733537 1.00 PTGES (0.83) PTGESCA9SLC10A1NT5EPTPN1
Water SCHEMBL8584387 0.99 PTGES (0.82) PTGESCA9SLC10A1NT5EPTPN1
Ether SCHEMBL8586168 0.96 PTGES (0.78) PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL13855630 0.93 PTGES (0.72) PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL5454249 0.93 NT5E (0.75) PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL13573803 0.93 NT5E (0.75) PTGESCA9SLC10A1NT5EPTPN1
SCHEMBL5956476 0.92 PTGES (0.74) PTGESCA9SLC10A1NT5EPTPN1

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 45 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-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 — — US disclosed
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-08-19 — — US disclosed
US-8969395-B2 Triterpenoid derivatives useful as antiproliferative agents UNIVERSIDADE DE COIMBRA (PT) 2015-03-03 — — US 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-8093413-B2 Method of preparation and isolation of betulin diacetate from birch bark from paper mills and its optical processing to betulin UNIVERZITA KARLOVA V PRAZE, PRIRODOVEDECKA FAKULTA (CZ) 2012-01-10 — — 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 (4 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-20210253627-A1 TRITERPENE AMINE DERIVATIVES BET1, PGGT1B, NFATC1 PTGES 2508/4885CA9 3457/4885SLC10A1 1465/4885
US-20040087560-A1 Leukemia; anticancer agents; antiproliferative agents MCL1, MKI67, CCNA1 PTGES 4663/4885CA9 624/4885SLC10A1 964/4885
US-20120129901-A1 TRITERPENOID DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS ALPI, LSS, CYP46A1 PTGES 1262/4885CA9 362/4885SLC10A1 43/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 PTGES 2508/4885CA9 3457/4885SLC10A1 1465/4885

“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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