SCHEMBL1509935

SCHEMBL1509935

CCOc1ccc(Br)cc1F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
KDM1A O60341 2/20 0.50
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
AAK1 Q2M2I8 2/20 0.43
TUBB1 Q9H4B7 1/20 0.43
SLC6A4 P31645 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL5881114 0.85 HPGD (0.55) HPGDTSHRRAB9AL3MBTL1SMN1; SMN2
SCHEMBL2854732 0.84 HTT (0.49) HPGDTSHRRAB9AL3MBTL1SMN1; SMN2
SCHEMBL7934151 0.84 ALDH1A1 (0.45) HPGDTSHRKDM1AL3MBTL1SMN1; SMN2
SCHEMBL1311491 0.83 SMN1; SMN2 (0.49) HPGDTSHRRAB9AL3MBTL1SMN1; SMN2
SCHEMBL18718210 0.83 TSHR (0.44) HPGDTSHRKDM1ARAB9ASMN1; SMN2
SCHEMBL6687682 0.82 SMN1; SMN2 (0.50) HPGDRAB9AL3MBTL1SMN1; SMN2LMNA
SCHEMBL15677337 0.82 KDM4E (0.42) L3MBTL1SMN1; SMN2GAAALDH1A1AAK1
SCHEMBL31096231 0.81 TSHR (0.56) HPGDTSHRRAB9AL3MBTL1SMN1; SMN2
SCHEMBL182753 0.81 TSHR (0.56) HPGDTSHRRAB9AL3MBTL1SMN1; SMN2
SCHEMBL578735 0.81 L3MBTL1 (0.43) TSHRL3MBTL1SMN1; SMN2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3315502-B1 C,O-SPIRO ARYL GLYCOSIDE COMPOUNDS, PREPARATION THEREFOR AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2024-07-31 EP disclosed
CN-112300115-B Liquid crystal compound, liquid crystal composition, liquid crystal display element and liquid crystal display 石家庄诚志永华显示材料有限公司 2024-04-02 CN disclosed
CN-110499161-B Liquid crystal compound, liquid crystal composition and liquid crystal display device 石家庄诚志永华显示材料有限公司 2022-07-08 CN disclosed
EP-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 EP disclosed
EP-3046920-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2021-08-04 EP disclosed
CN-112980458-A Bridge-ring alkane-containing liquid crystal compound and preparation method and application thereof 北京八亿时空液晶科技股份有限公司 2021-06-18 CN disclosed
CN-109207160-B Liquid crystal compound with negative dielectric anisotropy as well as preparation method and application thereof 北京八亿时空液晶科技股份有限公司 2021-05-07 CN disclosed
CN-112300115-A Liquid crystal compound, liquid crystal composition, liquid crystal display element and liquid crystal display 石家庄诚志永华显示材料有限公司 2021-02-02 CN disclosed
US-10550143-B2 C,O-spiro aryl glycoside compounds, preparation therefor and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-02-04 US disclosed
US-20180305390-A1 C,O-SPIRO ARYL GLYCOSIDE COMPOUNDS, PREPARATION THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2018-10-25 US disclosed
WO-2002079344-A1 FLUORINATED FLUORENE DERIVATIVES MERCK PATENT GMBH (DE) 2002-10-10 WO disclosed
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
US-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US disclosed
CN-1019109-B The insect-killing composition that contains diphenyl ether derivatives pesticide compound ICI PLC (GB) 1992-11-18 CN disclosed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed
EP-0240121-B1 DIPHENYL ETHER DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-17 EP disclosed
EP-0390228-A2 Chemical intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-03 EP disclosed
US-4791139-A Diphenyl ether derivatives and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US disclosed
EP-0240121-A2 Diphenyl ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-07 EP disclosed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 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 (2 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-20180305390-A1 C,O-SPIRO ARYL GLYCOSIDE COMPOUNDS, PREPARATION THEREFOR AND USE THEREOF SLC5A2, SLC5A1, GLP1R HPGD 2043/4885TSHR 2919/4885KDM1A 3464/4885
US-10550143-B2 C,O-spiro aryl glycoside compounds, preparation therefor and use thereof SLC5A2, SLC5A1, GLP1R HPGD 2043/4885TSHR 2919/4885KDM1A 3464/4885

“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.