SCHEMBL289452

SCHEMBL289452

O=Cc1cc(O)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.49
ERN1 O75460 7/20 0.47
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
PRKDC P78527 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EGFR P00533 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
KLF5 Q13887 1/20 0.39
ESR1 P03372 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
SCHEMBL31302309 1.00 BACE1 (0.49) BACE1ERN1ALDH5A1ABATPRKDC
SCHEMBL1269989 0.82 NPC1 (0.47) ERN1ALDH5A1ABATPRKDCKDM4E
SCHEMBL2480246 0.80 XDH (0.43) BACE1ERN1POLBMAPTTDP1
SCHEMBL29265103 0.79 BACE1 (0.51) BACE1L3MBTL1KDM4EALDH1A1EGFR
SCHEMBL7913737 0.78 TRIM24 (0.47) ERN1ALDH5A1ABATL3MBTL1KDM4E
SCHEMBL29952866 0.78 TRIM24 (0.47) ERN1ALDH5A1ABATL3MBTL1KDM4E
SCHEMBL2104286 0.77 BACE1 (0.45) BACE1L3MBTL1NPC1MEN1RAB9A
SCHEMBL29265089 0.77 BACE1 (0.45) BACE1L3MBTL1KDM4EALDH1A1EGFR
SCHEMBL414267 0.76 ERN1 (0.61) ERN1PRKDCALDH1A1TDP1MEN1
SCHEMBL36835 0.76 ERN1 (0.61) ERN1L3MBTL1KDM4EALDH1A1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115925626-B Novel aporphine compound and preparation method and application thereof 中国药科大学 2025-06-13 CN claimed
CN-119841800-A Method for preparing urolithin A by one-pot method 天津大学浙江研究院(绍兴) 2025-04-18 CN claimed
CN-119564591-A Keli-boria ointment and its production process 江苏晨牌邦德药业有限公司 2025-03-07 CN claimed
CN-119390742-A Hydroxy-exposed urolithin A-8-O galactose glycoside and its synthesis process and application 江西师范大学 2025-02-07 CN claimed
US-12195489-B2 Spiro-bisphosphorous compound, and preparation and application thereof GUANGDONG OXO CHEM LTD. (CN) 2025-01-14 US claimed
CN-117024332-A Near-infrared singlet oxygen luminescent probe with high signal-to-noise ratio and high stability and preparation method and application thereof 华东理工大学 2023-11-10 CN claimed
CN-116239608-A Near-infrared two-region organic small molecule chemiluminescent probe and preparation and application thereof 福州市微纳新创医疗科技有限公司 2023-06-09 CN claimed
CN-115925626-A Novel aporphine compound and preparation method and application thereof 中国药科大学 2023-04-07 CN claimed
US-20220242891-A1 SPIRO-BISPHOSPHOROUS COMPOUND, AND PREPARATION AND APPLICATION THEREOF GUANGDONG OXO CHEM LTD. (CN) 2022-08-04 US claimed
CN-112851703-A Preparation method of clitorium 合肥立方制药股份有限公司 2021-05-28 CN claimed
CN-110804009-A Chemiluminescent substrate with high chemiluminescent intensity, long wavelength and good stability, and preparation method and application thereof 华东理工大学 2020-02-18 CN claimed
WO-2018216032-A1 PROCESS FOR THE PREPARATION OF 5-(4-CYANOPHENOXY)-1,3-DIHYDRO-1-HYDROXY-[2,1]-BENZOXABOROLE AND POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2018-11-29 WO claimed
CN-108864160-A The preparation method of boron-containing small molecules 苏州旺山旺水生物医药有限公司 2018-11-23 CN claimed
CN-108530476-A A kind of preparation method of gram of vertical boron sieve intermediate 武汉轻工大学 2018-09-14 CN claimed
WO-2018115362-A1 PROCESS FOR PREPARING 4-[(1-HYDROXY-1,3-DIHYDRO-2,1-BENZOXABOROL-5-YL)OXY]BENZONITRILE (CRISABOROLE) LABORATORIOS LESVI, SL (ES) 2018-06-28 WO claimed
CN-102797043-B Medicinal molecular fragment library and construction process thereof Tianli (Tianjin) Technology Co., Ltd. (CN) 2015-11-25 CN claimed
CN-102911157-B (E)-3-[2-bromo-5-(3-substituted propoxy)]phenyl-N-{4-methyl-3-[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl acrylamide compound UNIV SHENYANG PHARMACEUTICAL 2014-04-02 CN claimed
CN-102911157-A (E)-3-[2-bromo-5-(3-substituted propoxy)]phenyl-N-{4-methyl-3-[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl acrylamide compound UNIV SHENYANG PHARMACEUTICAL 2013-02-06 CN claimed
CN-102797043-A Medicinal molecular fragment library and construction method thereof CBB NETWORK CO LTD 2012-11-28 CN claimed
WO-2005037756-A2 NOVEL METHODS FOR THE PREPARATION OF 4-[4-(4-METHOXYMETHOXY-4'-METHYL-BIPHENYL-2-YL)-BUT-3-ENE-(E)-1-YNYL]-BENZOIC ACID GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-04-28 WO claimed

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-12195489-B2 Spiro-bisphosphorous compound, and preparation and application thereof SOST, BPGM, PFKFB3 BACE1 4577/4885ERN1 4071/4885ALDH5A1 447/4885
US-20220242891-A1 SPIRO-BISPHOSPHOROUS COMPOUND, AND PREPARATION AND APPLICATION THEREOF SOST, BPGM, PFKFB3 BACE1 4577/4885ERN1 4071/4885ALDH5A1 447/4885

“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.