SCHEMBL13576751

SCHEMBL13576751

COC(=O)C1COc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.46
PSMB5 P28074 2/20 0.43
CYP19A1 P11511 1/20 0.41
SSTR4 P31391 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTR2B P41595 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.40
HCRTR2 O43614 1/20 0.40
MTNR1A P48039 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL29724343 0.84 SSTR4 (0.43) SSTR4KMT2AGAA
SCHEMBL5846872 0.84 SSTR4 (0.43) SSTR4KMT2AGAA
SCHEMBL5846881 0.84 SSTR4 (0.43) SSTR4KMT2AGAA
SCHEMBL5846877 0.84 SSTR4 (0.43) SSTR4KMT2AGAA
SCHEMBL18740900 0.83 POLB (0.46) GLSL3MBTL1KDM4EALDH1A1NPSR1
SCHEMBL14446933 0.81 GLS (0.46) GLSPSMB5CYP19A1SSTR4HTR2B
SCHEMBL27432522 0.80 GLS (0.48) GLSPSMB5CYP19A1SSTR4HTR2B
SCHEMBL12749158 0.80 SSTR4 (0.44) PSMB5CYP19A1SSTR4L3MBTL1NPC1
SCHEMBL10900420 0.80 KMT2A (0.46) CYP19A1L3MBTL1RAB9AHTR2BHCRTR2
SCHEMBL15211430 0.80 ESR1 (0.42) HTR2BKDM4EALDH1A1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4681774-A2 KHK INHIBITORS Gilead Sciences, Inc. (US) 2026-01-21 EP disclosed
EP-4313967-B1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2025-11-12 EP disclosed
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 EP disclosed
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 CN disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed
US-10428017-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE S.Á.R.L. (LU) 2019-10-01 US disclosed
CN-109069470-A Use of specific benzodihydrofuran lignans for inhibiting breast cancer cell metastasis 杨宁荪 2018-12-21 CN disclosed
WO-2018154493-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2018-08-30 WO disclosed
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-08-30 US disclosed
CN-105294620-A Synthetic method for 4-amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic acid SHANGHAI FAMO BIOTECHNOLOGY CO LTD 2016-02-03 CN disclosed
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-12-24 US disclosed
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-09 US disclosed
US-20080146808-A1 AZABICYCLO-OCTANE INHIBITORS OF IAP GENENTECH, INC. (US) 2008-06-19 US disclosed
US-20080146808-A1 AZABICYCLO-OCTANE INHIBITORS OF IAP GENENTECH, INC. (US) 2008-06-19 US disclosed
US-7345081-B2 Azabicyclo-octane inhibitors of IAP GENENTECH, INC. (US) 2008-03-18 US disclosed
US-7345081-B2 Azabicyclo-octane inhibitors of IAP GENENTECH, INC. (US) 2008-03-18 US disclosed
CN-1214008-C Therapeutic biaryl derivatives GLAXO GROUP LTD (GB) 2005-08-10 CN disclosed
CN-1312800-A Therapeutic biaryl derivatives GLAXO GROUP LTD (GB) 2001-09-12 CN disclosed
CN-1020102-C Process for producing bicyclic carboxylic acid ester and bicyclic carboxamide EIL LILLY & CO (US) 1993-03-17 CN disclosed
CN-1031841-A The improvement of special 5-HT3 antagonist LILLY CO ELI (US) 1989-03-22 CN 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 (5 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-10428017-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, CLCN2, SCNN1G GLS 1373/4885PSMB5 2724/4885CYP19A1 4872/4885
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 GLS 1282/4885PSMB5 132/4885CYP19A1 4494/4885
US-20080146808-A1 AZABICYCLO-OCTANE INHIBITORS OF IAP XIAP, BIRC3, BIRC2 GLS 3179/4885PSMB5 172/4885CYP19A1 3097/4885
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, CLCN2, SCNN1G GLS 1373/4885PSMB5 2724/4885CYP19A1 4872/4885
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 GLS 1282/4885PSMB5 132/4885CYP19A1 4494/4885

“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.