SCHEMBL4036585

SCHEMBL4036585

COC(=O)c1ccccc1OC(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.66
SLC6A3 Q01959 3/20 0.57
TSHR P16473 3/20 0.53
LMNA P02545 1/20 0.53
ALDH1A1 P00352 2/20 0.53
ACHE P22303 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HSD17B10 Q99714 2/20 0.52
CFTR P13569 1/20 0.52
SLC6A4 P31645 2/20 0.51
IDO1 P14902 1/20 0.51
TDO2 P48775 1/20 0.51
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.50
KCNK3 O14649 2/20 0.49
KCNK9 Q9NPC2 2/20 0.49
MAPT P10636 2/20 0.49

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
SCHEMBL6280137 0.87 SLC6A3 (0.56) IRAK4SLC6A3TSHRLMNAALDH1A1
SCHEMBL4326100 0.87 SLC6A3 (0.56) IRAK4SLC6A3TSHRLMNAALDH1A1
SCHEMBL27958806 0.87 IRAK4 (0.68) IRAK4SLC6A3TSHRLMNAALDH1A1
SCHEMBL2942817 0.85 IRAK4 (0.66) IRAK4ALDH1A1ACHEHSD17B10IDO1
SCHEMBL22995188 0.85 SLC6A3 (0.57) IRAK4SLC6A3TSHRLMNAALDH1A1
SCHEMBL15528489 0.85 TSHR (0.74) IRAK4TSHRALDH1A1L3MBTL1HSD17B10
SCHEMBL3791612 0.84 SLC6A3 (0.53) IRAK4SLC6A3TSHRLMNAALDH1A1
SCHEMBL7795902 0.84 IRAK4 (0.51) IRAK4SLC6A3TSHRLMNAALDH1A1
SCHEMBL15814877 0.84 IRAK4 (0.51) IRAK4SLC6A3TSHRLMNAALDH1A1
SCHEMBL6014143 0.84 IRAK4 (0.64) IRAK4ALDH1A1ACHEHSD17B10IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112812114-B Isoxazole derivative, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-05-28 CN disclosed
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-29 US disclosed
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-29 US disclosed
CN-116472292-A Modified proteins and protein degrading agents 上海睿跃生物科技有限公司 2023-07-21 CN disclosed
US-20230057177-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2023-02-23 US disclosed
US-10654837-B2 Sulphamoylaryl derivatives and use thereof as medicaments for the treatment of liver fibrosis JANSSEN PHARMACEUTICA NV (BE) 2020-05-19 US disclosed
US-20190345145-A1 SULPHAMOYLARYL DERIVATIVES AND USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF LIVER FIBROSIS JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) 2019-11-14 US disclosed
CN-110300579-A Sulfamoyl aryl derivatives and its purposes for being used to treat liver fibrosis as drug 詹森药业有限公司 2019-10-01 CN disclosed
CN-105273003-B Isocarbophos haptens and its preparation method and application 深圳市检验检疫科学研究院 2017-12-01 CN disclosed
CN-105612158-A Antagonists of somatostatin receptor subtype 5 (sstr5) TAKEDA PHARMACEUTICALS CO 2016-05-25 CN disclosed
CN-104829756-A Solid catalyst component for olefin polymerization, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-08-12 CN disclosed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 WO disclosed
CN-1460097-A NF-kB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY SEIYAKU CO LTD (JP) 2003-12-03 CN disclosed
US-4148900-A ANTIALLERGIC CARLO ERBA S.P.A. (IT) 1979-04-10 US disclosed
US-4115567-A TREATMENT OF ALLERGIES CARLO ERBA S. P. A. (IT) 1978-09-19 US disclosed
US-4083953-A ANTIALLERGENS CARLO ERBA, S.P.A. (IT) 1978-04-11 US disclosed
US-4065467-A ANTIALLERGENS, ANTIULCER AGENTS, TREATMENT OF RESPIRATORY SYSTEM AND PULMONARY DISORDERS CARLO ERBA, S. P. A. (IT) 1977-12-27 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-10654837-B2 Sulphamoylaryl derivatives and use thereof as medicaments for the treatment of liver fibrosis HTR2B, HTR3B, HTR1A IRAK4 2895/4885SLC6A3 328/4885TSHR 1013/4885
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS DDB1, DCLRE1A, MDM2 IRAK4 2691/4885SLC6A3 4723/4885TSHR 3370/4885
US-20230057177-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS DDB1, DCLRE1A, MDM2 IRAK4 2691/4885SLC6A3 4723/4885TSHR 3370/4885
US-20190345145-A1 SULPHAMOYLARYL DERIVATIVES AND USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF LIVER FIBROSIS HTR2B, HTR3B, HTR1A IRAK4 2895/4885SLC6A3 328/4885TSHR 1013/4885

“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.