SCHEMBL425149

SCHEMBL425149

COc1cc(B(O)O)ccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.50
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.45
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
ENPP2 Q13822 2/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42

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
SCHEMBL29955104 1.00 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDPPARGPPARA
SCHEMBL29955154 0.86 KDM4E (0.50) ALDH1A1KDM4EHPGDMAPTTDP1
SCHEMBL1163265 0.86 KDM4E (0.50) ALDH1A1KDM4EHPGDMAPTTDP1
SCHEMBL30016565 0.84 MKNK1 (0.48) ALDH1A1KDM4EHPGDHTTCA1
SCHEMBL189207 0.84 KDM4E (0.46) ALDH1A1KDM4EHPGDMAPTTDP1
SCHEMBL4814821 0.81 TSHR (0.49) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL29955699 0.79 HSD17B2 (0.47) ALDH1A1KDM4EHPGDMAPTTDP1
SCHEMBL5058938 0.79 HSD17B2 (0.47) ALDH1A1KDM4EHPGDMAPTTDP1
SCHEMBL5788486 0.79 SMN1; SMN2 (0.64) ALDH1A1MAPT
SCHEMBL2770512 0.77 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118957992-B Preparation method of high-hardness crosslinked modified hydroxy acrylic resin 莱阳红安化工有限公司 2024-12-13 CN claimed
CN-118957992-A Preparation method of high-hardness crosslinked modified hydroxy acrylic resin 莱阳红安化工有限公司 2024-11-15 CN claimed
CN-116987319-A Functionalized boric acid affinity material and preparation method and application thereof 苏州赛分科技股份有限公司 2023-11-03 CN claimed
CN-118957992-B Preparation method of high-hardness crosslinked modified hydroxy acrylic resin 莱阳红安化工有限公司 2024-12-13 CN disclosed
CN-118957992-A Preparation method of high-hardness crosslinked modified hydroxy acrylic resin 莱阳红安化工有限公司 2024-11-15 CN disclosed
CN-117384150-A Thiazolidinones immunoproteasome inhibitor and its preparation method and pharmaceutical use 中国医学科学院药物研究所 2024-01-12 CN disclosed
WO-2023215514-A2 BIOLUMINESCENCE-TRIGGERED PHOTOCATALYTIC LABELING PROMEGA CORPORATION (US) 2023-11-09 WO disclosed
CN-116987319-A Functionalized boric acid affinity material and preparation method and application thereof 苏州赛分科技股份有限公司 2023-11-03 CN disclosed
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
WO-2021203025-A1 1 H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1 H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 WO disclosed
WO-2010116282-A1 4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2010-10-14 WO disclosed
US-20100254903-A1 Substituted Aryl-Fluoroborates as Imaging Agents THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-10-07 US disclosed
US-20100254903-A1 Substituted Aryl-Fluoroborates as Imaging Agents THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-10-07 US disclosed
US-20090325954-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-12-31 US disclosed
EP-2061784-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-05-27 EP disclosed
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 US disclosed
WO-2008032086-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 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 (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-20090325954-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS PIK3CA, MTOR, PIK3CD ALDH1A1 2481/4885KDM4E 946/4885HPGD 2180/4885
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A ALDH1A1 106/4885KDM4E 2845/4885HPGD 1970/4885
US-20100254903-A1 Substituted Aryl-Fluoroborates as Imaging Agents SIGMAR1, AP3S1, SLC1A5 ALDH1A1 2514/4885KDM4E 2923/4885HPGD 4390/4885
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINE1, SERPINA3 ALDH1A1 638/4885KDM4E 4443/4885HPGD 167/4885

“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.