SCHEMBL457980

SCHEMBL457980

OCc1ccccc1OBOc1ccccc1CO

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.41
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
TSHR P16473 1/20 0.33
CYP2A6 P11509 1/20 0.33
ALDH1A1 P00352 1/20 0.33
IDO1 P14902 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
Water SCHEMBL5381049 0.98 APOBEC3G (0.40) APOBEC3GEPHX1KDM4EMAPK1SLC6A2
SCHEMBL11959677 0.84 APOBEC3G (0.40) APOBEC3GEPHX1KDM4EMAPK1SLC6A2
SCHEMBL5950358 0.78 SLC6A2 (0.50) APOBEC3GEPHX1KDM4EMAPK1SLC6A2
SCHEMBL3142208 0.77 IDO1 (0.43) GAAL3MBTL1ALDH1A1IDO1TAAR1
SCHEMBL1581411 0.77 ALDH1A1 (0.33) SLC6A2SLC6A4GAAL3MBTL1TSHR
SCHEMBL410908 0.77 L3MBTL1 (0.52) KDM4ESLC6A2SLC6A4HPGDL3MBTL1
SCHEMBL9939458 0.77 PNMT (0.43) KDM4EHPGDGAAALDH1A1IDO1
SCHEMBL3976678 0.75 CXCL8 (0.57) KDM4EL3MBTL1
SCHEMBL14724945 0.74 APOBEC3G (0.43) APOBEC3GEPHX1KDM4EMAPK1SLC6A2
SCHEMBL6278011 0.74 APOBEC3G (0.43) APOBEC3GEPHX1KDM4EMAPK1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 CN disclosed
CN-115052860-B Collagen 1 translation inhibitors and methods of use thereof 艾尼莫生物科技公司 2024-06-21 CN disclosed
CN-115838372-B Triphenylethylene derivative and organic electroluminescent device comprising triphenylethylene derivative 广东省大湾区华南理工大学聚集诱导发光高等研究院 2024-05-10 CN disclosed
CN-117295736-A Benzo [ C ] [2,6] naphthyridine derivatives, compositions thereof and therapeutic uses thereof 剑桥实业有限公司 2023-12-26 CN disclosed
CN-117143175-A Compound for targeted SOS1 protein ubiquitination regulation and preparation method and application thereof 青岛普泰科生物医药科技有限公司 2023-12-01 CN disclosed
CN-117143176-A Compounds for degrading SOS1 protein and application thereof 青岛普泰科生物医药科技有限公司 2023-12-01 CN disclosed
CN-116648245-A Tetrahydroquinoline derivative and medical application thereof 东丽株式会社 2023-08-25 CN disclosed
CN-111377968-B Aryl-containing boric acid 99m Tc (III) complex, and medicine box formula and application thereof 中国医学科学院阜外医院 2023-07-25 CN disclosed
CN-115916776-A Collagen 1 translation inhibitors and methods of use thereof 艾尼莫生物科技公司 2023-04-04 CN disclosed
CN-115838372-A Triphenylethylene derivative and organic electroluminescent device containing same 广东省大湾区华南理工大学聚集诱导发光高等研究院 2023-03-24 CN disclosed
US-20030125324-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 KONRADI ANDREI W (US) 2003-07-03 US disclosed
US-20030095958-A1 Inhibitors of bace VERTEX PHARMACEUTICALS INCORPORATED 2003-05-22 US disclosed
US-6498165-B1 PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS MERCK & CO., INC. 2002-12-24 US disclosed
US-6492372-B1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2002-12-10 US disclosed
WO-2002088101-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 WO disclosed
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
EP-1144388-A1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS Elan Pharmaceuticals, Inc. (US) 2001-10-17 EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed
WO-2000043372-A1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 WO 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-20030095958-A1 Inhibitors of bace BACE2, BACE1, APP APOBEC3G 214/4885EPHX1 590/4885KDM4E 1717/4885
US-20030125324-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 APOBEC3G 4255/4885EPHX1 2221/4885KDM4E 2419/4885

“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.