SCHEMBL3965332

SCHEMBL3965332

CC(=O)c1c(O)cccc1OCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.58
THRB P10828 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GLA P06280 1/20 0.53
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
SLC28A3 Q9HAS3 2/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.46
LTB4R Q15722 1/20 0.45
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43

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
SCHEMBL6894051 0.85 MAOB (0.57) MAOBTHRBL3MBTL1POLBSMN1; SMN2
SCHEMBL12009587 0.84 MAOB (0.63) MAOBTHRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL29958256 0.84 MAOB (0.56) MAOBTHRBKDM4EALDH1A1SLC28A3
SCHEMBL1727821 0.84 MAOB (0.56) MAOBTHRBKDM4EALDH1A1SLC28A3
SCHEMBL18702970 0.83 KDM4E (0.53) L3MBTL1POLBSMN1; SMN2GLAKDM4E
SCHEMBL1448829 0.83 MAOB (0.61) MAOBTHRBL3MBTL1GLAALDH1A1
SCHEMBL29788611 0.83 MAOB (0.61) MAOBTHRBL3MBTL1GLAALDH1A1
SCHEMBL23532142 0.82 L3MBTL1 (0.51) L3MBTL1POLBSMN1; SMN2GLAKDM4E
SCHEMBL23218373 0.82 KMT2A (0.57) L3MBTL1POLBSMN1; SMN2GLAKDM4E
SCHEMBL15012848 0.81 CA12 (0.54) MAOBTHRBL3MBTL1SMN1; SMN2KDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336583-A1 BENZO-RING-CONTAINING DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHUJING BIOPHARMA CO., LTD (CN) 2024-10-10 US disclosed
EP-4382515-A1 BENZO-RING-CONTAINING DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shujing Biopharma Co., Ltd (CN) 2024-06-12 EP disclosed
CN-117794905-A Benzo ring-containing derivative, and preparation method and application thereof 上海枢境生物科技有限公司 2024-03-29 CN disclosed
WO-2023011634-A1 BENZO-RING-CONTAINING DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海枢境生物科技有限公司 2023-02-09 WO disclosed
WO-2023011634-A1 BENZO-RING-CONTAINING DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海枢境生物科技有限公司 2023-02-09 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2013083991-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY IMPERIAL INNOVATIONS LIMITED (GB) 2013-06-13 WO disclosed
US-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 US disclosed
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 US disclosed
EP-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 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-20240336583-A1 BENZO-RING-CONTAINING DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF GABRA1, GABRA4, GABRA5 MAOB 1511/4885THRB 1653/4885L3MBTL1 4178/4885
US-20080153828-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 MAOB 618/4885THRB 501/4885L3MBTL1 4787/4885

“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.