SCHEMBL8086768

SCHEMBL8086768

[CH2]C1COc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
CYP19A1 P11511 3/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SLC6A2 P23975 3/20 0.36
CYP2D6 P10635 2/20 0.36
SLC6A4 P31645 2/20 0.36
NISCH Q9Y2I1 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8083561 0.78 ITGB2 (0.46) LTB4RLTB4R2ABCG2ITGB2ICAM1
SCHEMBL17185573 0.78 MAOA (0.34) LTB4RLTB4R2CYP19A1ABCG2ITGB2
SCHEMBL24090507 0.77 LTB4R (0.43) LTB4RLTB4R2DRD2DRD3CYP19A1
SCHEMBL5176853 0.77 LTB4R (0.43) LTB4RLTB4R2DRD2DRD3CYP19A1
SCHEMBL10820255 0.73 LTB4R (0.43) LTB4RLTB4R2DRD2DRD3CYP19A1
SCHEMBL507362 0.73 LTB4R (0.43) LTB4RLTB4R2DRD2DRD3CYP19A1
SCHEMBL5541762 0.73 LTB4R (0.47) LTB4RLTB4R2DRD2DRD3CYP19A1
SCHEMBL691833 0.73 LTB4R (0.43) LTB4RLTB4R2DRD2DRD3CYP19A1
SCHEMBL19268289 0.73 LTB4R (0.51) LTB4RLTB4R2DRD2DRD3CYP19A1
SCHEMBL18570198 0.73 LTB4R (0.43) LTB4RLTB4R2DRD2DRD3CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101223189-A Novel compounds as GLP-I agonists CADILA HEALTHCARE LTD (IN) 2008-07-16 CN claimed
CN-113874353-B Microbiocidal derivatives 先正达农作物保护股份公司 2024-06-14 CN disclosed
US-20230192628-A1 MICROBIOCIDAL DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2023-06-22 US disclosed
US-20220272976-A1 MICROBIOCIDAL DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2022-09-01 US disclosed
CN-113924294-A Microbicidal derivatives 先正达农作物保护股份公司 2022-01-11 CN disclosed
CN-113874353-A Microbicidal derivatives 先正达农作物保护股份公司 2021-12-31 CN disclosed
WO-2020239856-A1 MICROBIOCIDAL DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2020-12-03 WO disclosed
WO-2020239853-A1 MICROBIOCIDAL DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2020-12-03 WO disclosed
CN-101223189-A Novel compounds as GLP-I agonists CADILA HEALTHCARE LTD (IN) 2008-07-16 CN disclosed
EP-1044985-A1 ERYTHROMYCIN DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2000-10-18 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-20220272976-A1 MICROBIOCIDAL DERIVATIVES MPO, MSR1, PRF1 LTB4R 956/4885LTB4R2 1058/4885DRD2 1095/4885
US-20230192628-A1 MICROBIOCIDAL DERIVATIVES MPO, PRF1, MSR1 LTB4R 1071/4885LTB4R2 1184/4885DRD2 935/4885

“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.