SCHEMBL20869

SCHEMBL20869

CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)N4CCOCC4)CC[C@]3(C)CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 9/20 1.00
HSP90AA1 P07900 1/20 0.74
CCR6 P51684 1/20 0.74
PAX8 Q06710 1/20 0.74
TLR9 Q9NR96 1/20 0.74
NR4A1 P22736 7/20 0.73
PTPN1 P18031 1/20 0.72
CASP1 P29466 1/20 0.72
ABHD6 Q9BV23 1/20 0.72
KDM4E B2RXH2 1/20 0.72
TP53 P04637 1/20 0.72
CYP3A4 P08684 1/20 0.72
MAPT P10636 1/20 0.72
HPGD P15428 1/20 0.72
ALOX15 P16050 1/20 0.72
ALOX12 P18054 1/20 0.72
MAPK1 P28482 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
HSP90AB1 P08238 3/20 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
SCHEMBL17340608 0.93 TERT (0.86) TERTHSP90AA1CCR6PAX8TLR9
SCHEMBL19721 0.93 TERT (0.86) TERTHSP90AA1CCR6PAX8TLR9
SCHEMBL22010844 0.93 TERT (0.86) TERTHSP90AA1CCR6PAX8TLR9
SCHEMBL17124740 0.92 TERT (0.85) TERTHSP90AA1CCR6PAX8TLR9
SCHEMBL18782118 0.91 TERT (0.84) TERTHSP90AA1CCR6PAX8TLR9
SCHEMBL22010937 0.90 TERT (0.82) TERTHSP90AA1CCR6PAX8TLR9
SCHEMBL18782152 0.90 TERT (0.82) TERTHSP90AA1CCR6PAX8TLR9
SCHEMBL20371753 0.89 TERT (0.80) TERTHSP90AA1CCR6PAX8TLR9
SCHEMBL22011618 0.89 TERT (0.79) TERTHSP90AA1CCR6PAX8TLR9
SCHEMBL18782151 0.87 TERT (0.78) TERTHSP90AA1CCR6PAX8TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753436-B2 Analogs of celastrol ERX PHARMACEUTICALS CORPORATION (US) 2023-09-12 US disclosed
US-11753436-B2 Analogs of celastrol ERX PHARMACEUTICALS CORPORATION (US) 2023-09-12 US disclosed
US-20210061851-A1 ANALOGS OF CELASTROL ERX PHARMACEUTICALS CORPORATION 2021-03-04 US disclosed
US-10662218-B2 Analogs of celastrol ERX PHARMACEUTICALS CORPORATION 2020-05-26 US disclosed
US-20180194709-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION 2018-07-12 US disclosed
WO-2017070615-A1 ANALOGS OF CELASTROL ERX PHARMACEUTICALS, INC. (US) 2017-04-27 WO disclosed
EP-2609108-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS SUZHOU NEUPHARMA CO LTD (CN) 2015-12-16 EP disclosed
WO-2015148802-A1 CELASTROL AND DERIVATIVES FOR THE TREATMENT OF OBESITY THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2015-10-01 WO disclosed
US-20150274634-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION 2015-10-01 US disclosed
US-20150274634-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION 2015-10-01 US disclosed
US-20120052019-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2012-03-01 US disclosed
US-20110166216-A1 Compositions and Methods for Inhibiting Growth and Metastasis of Melanoma BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2011-07-07 US disclosed
US-20110166216-A1 Compositions and Methods for Inhibiting Growth and Metastasis of Melanoma BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2011-07-07 US disclosed
US-7888355-B2 Compositions and methods for inhibiting growth and metastasis of melanoma BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-02-15 US disclosed
US-20100305129-A1 COMPOSITIONS AND METHODS FOR INHIBITING GROWTH AND METASTASIS OF MELANOMA BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-7776894-B2 Compositions and methods for inhibiting growth and metastasis of melanoma BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-08-17 US disclosed
US-7776894-B2 Compositions and methods for inhibiting growth and metastasis of melanoma BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-08-17 US disclosed
WO-2009026163-A1 COMPOSITIONS AND METHODS FOR INHIBITING GROWTH AND METASTASIS OF MELANOMA BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 WO disclosed
US-20090054438-A1 COMPOSITIONS AND METHODS FOR INHIBITING GROWTH AND METASTASIS OF MELANOMA BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 US disclosed
US-20090054438-A1 COMPOSITIONS AND METHODS FOR INHIBITING GROWTH AND METASTASIS OF MELANOMA BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 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 (9 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-20210061851-A1 ANALOGS OF CELASTROL GIPR, GPR119, EBP TERT 3225/4885HSP90AA1 123/4885CCR6 3242/4885
US-20180194709-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF GPR119, FABP4, ADIPOR1 TERT 3318/4885HSP90AA1 2473/4885CCR6 674/4885
US-20100305129-A1 COMPOSITIONS AND METHODS FOR INHIBITING GROWTH AND METASTASIS OF MELANOMA API5, ACIN1, MCL1 TERT 2018/4885HSP90AA1 158/4885CCR6 1953/4885
US-20150274634-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF GPR119, FABP4, ADIPOR1 TERT 3318/4885HSP90AA1 2473/4885CCR6 674/4885
US-20120052019-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS LTB4R2, PTGER4, PMP22 TERT 282/4885HSP90AA1 3632/4885CCR6 474/4885
US-10662218-B2 Analogs of celastrol GIPR, GPR119, EBP TERT 3225/4885HSP90AA1 123/4885CCR6 3242/4885
US-11753436-B2 Analogs of celastrol GIPR, GPR119, EBP TERT 3225/4885HSP90AA1 123/4885CCR6 3242/4885
US-20090054438-A1 COMPOSITIONS AND METHODS FOR INHIBITING GROWTH AND METASTASIS OF MELANOMA API5, ACIN1, MCL1 TERT 2018/4885HSP90AA1 158/4885CCR6 1953/4885
US-20110166216-A1 Compositions and Methods for Inhibiting Growth and Metastasis of Melanoma API5, ACIN1, MCL1 TERT 2018/4885HSP90AA1 158/4885CCR6 1953/4885

“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.