SCHEMBL95166

SCHEMBL95166

[O]CCCCCCC(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.75
LMNA P02545 3/20 0.75
NFKB1 P19838 1/20 0.75
PMP22 Q01453 1/20 0.75
GPR84 Q9NQS5 8/20 0.60
FFAR1 O14842 2/20 0.60
FFAR4 Q5NUL3 2/20 0.60
SLC22A6 Q4U2R8 2/20 0.59
PPARG P37231 7/20 0.57
PPARD Q03181 7/20 0.57
PPARA Q07869 7/20 0.57
HDAC11 Q96DB2 5/20 0.57
ALDH1A1 P00352 3/20 0.57
PTPN1 P18031 3/20 0.57
TLR2 O60603 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
MEN1 O00255 2/20 0.57
FABP4 P15090 2/20 0.57
ALOX15 P16050 2/20 0.57
KMT2A Q03164 2/20 0.57

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
SCHEMBL1006545 1.00 TSHR (0.75) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1007211 1.00 TSHR (0.75) TSHRLMNANFKB1PMP22GPR84
SCHEMBL7553266 1.00 TSHR (0.75) TSHRLMNANFKB1PMP22GPR84
SCHEMBL821656 1.00 TSHR (0.75) TSHRLMNANFKB1PMP22GPR84
SCHEMBL95801 1.00
SCHEMBL1006395 1.00 TSHR (0.75) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1006840 1.00 TSHR (0.75) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1008881 1.00 TSHR (0.75) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1008155 1.00 TSHR (0.75) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1006815 1.00 TSHR (0.75) TSHRLMNANFKB1PMP22GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107624113-B Tetrahydropyridopyrimidines and tetrahydropyridopyridines as inhibitors of HBsAg (HBV surface antigen) and HBV DNA production for the treatment of hepatitis B virus infection 豪夫迈·罗氏有限公司 2020-10-23 CN claimed
EP-3292120-B1 TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS HOFFMANN LA ROCHE (CH) 2019-06-19 EP claimed
EP-3292120-A1 TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS H. Hoffnabb-La Roche Ag (CH) 2018-03-14 EP claimed
US-9845322-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2017-12-19 US claimed
WO-2016177655-A1 TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2016-11-10 WO claimed
US-20160326167-A1 Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection HOFFMANN-LA ROCHE INC. (US) 2016-11-10 US claimed
EP-4374877-A2 PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR AND PHOSPHORUS ADSORBENT FOR USE IN THE PREVENTION, TREATMENT OR SUPPRESSION OF CHRONIC KIDNEY DISEASE, ARTERIOSCLEROSIS ASSOCIATED WITH VASCULAR CALCIFICATION, OR ECTOPIC CALCIFICATION. CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-29 EP disclosed
EP-3928779-B1 PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR AND PHOSPHORUS ADSORBENT FOR USE IN THE PREVENTION, TREATMENT OR SUPPRESSION OF CHRONIC KIDNEY DISEASE, ARTERIOSCLEROSIS ASSOCIATED WITH VASCULAR CALCIFICATION, OR ECTOPIC CALCIFICATION. CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-03-06 EP disclosed
WO-2023225327-A1 INDUCERS OF INTEGRATED STRESS RESPONSE TO TREAT CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-11-23 WO disclosed
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US disclosed
EP-4219767-A1 PAPD5 AND PAPD7 INHIBITORS FOR TREATING A HEPATITIS B INFECTION F. Hoffmann-La Roche AG (CH) 2023-08-02 EP disclosed
CN-116196411-A PAPD5 and PAPD7 inhibitors for the treatment of hepatitis B infection 豪夫迈·罗氏有限公司 2023-06-02 CN disclosed
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 US disclosed
CN-1044807-A Neurocyte sex change reparation or protective material are with composition and the preparation method that is used for the benzene derivative of said composition OTSUKA PHARMA CO LTD (JP) 1990-08-22 CN disclosed
EP-0382213-A2 Biphenyl derivative, nerve cell degeneration repairing or protecting agent and process for preparing a phenyl derivative contained in the agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
US-4830663-A Sulfonylurea compounds for inhibiting bolting in sugar beets THE DOW CHEMICAL COMPANY (US) 1989-05-16 US disclosed
US-4760064-A Cardiotonic agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-07-26 US disclosed
CN-86108961-A 1-CARBACEPHALOSPORIN ANTIBIOTICS 1987-08-05 CN disclosed
EP-0187322-A1 Carbostyril compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-07-16 EP 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-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 TSHR 2282/4885LMNA 4349/4885NFKB1 3237/4885
US-20160326167-A1 Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection TPMT, DPYD, HAVCR2 TSHR 1669/4885LMNA 4052/4885NFKB1 2696/4885
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK TSHR 3124/4885LMNA 1299/4885NFKB1 572/4885

“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.