SCHEMBL17727979

SCHEMBL17727979

O=c1[nH]c(=O)c2c(C3CCCCC3)c3c(=O)[nH]c(=O)c3c(C3CCCCC3)c12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.41
▸ JAK2 O60674 7/20 0.40
▸ JAK1 P23458 7/20 0.40
▸ JAK3 P52333 7/20 0.40
▸ TYK2 P29597 6/20 0.40
▸ CHEK1 O14757 2/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ DRD1 P21728 1/20 0.31
▸ DRD5 P21918 1/20 0.31

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
SCHEMBL17727981 0.73 CEL (0.37) DAOJAK2JAK1JAK3TYK2
SCHEMBL10590805 0.66 DAO (0.36) DAOJAK2JAK1JAK3TYK2
SCHEMBL13591096 0.62 DAO (0.39) DAO
SCHEMBL21335045 0.62 DAO (0.39) DAO
SCHEMBL6242097 0.62 SMN1; SMN2 (0.46) —
SCHEMBL6241804 0.62 SMN1; SMN2 (0.46) —
SCHEMBL19818980 0.60 DAO (0.35) DAO
SCHEMBL20887773 0.60 DAO (0.35) DAO
SCHEMBL6944629 0.60 DAO (0.39) DAOEPHX2
SCHEMBL1498646 0.60 TDO2 (0.37) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11155554-B2 Rigid chiral redox-active isosceles triangular materials NORTHWESTERN UNIVERSITY (US) 2021-10-26 — — US disclosed
US-20190077804-A1 RIGID CHIRAL REDOX-ACTIVE ISOSCELES TRIANGULAR MATERIALS NORTHWESTERN UNIVERSITY (US) 2019-03-14 — — US disclosed
EP-3429988-A1 RIGID CHIRAL REDOX-ACTIVE ISOSCELES TRIANGULAR MATERIALS Northwestern University (US) 2019-01-23 — — EP disclosed
WO-2017161095-A1 RIGID CHIRAL REDOX-ACTIVE ISOSCELES TRIANGULAR MATERIALS NORTHWESTERN UNIVERSITY (US) 2017-09-21 — — WO disclosed
US-9546169-B2 Redox active triangular organic materials NORTHWESTERN UNIVERSITY (US) 2017-01-17 — — US disclosed
US-20160130271-A1 REDOX ACTIVE TRIANGULAR ORGANIC MATERIALS NORTHWESTERN UNIVERSITY 2016-05-12 — — US 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 (3 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-20160130271-A1 REDOX ACTIVE TRIANGULAR ORGANIC MATERIALS MT-ND1, NQO1, GPX4 DAO 483/4885JAK2 3383/4885JAK1 1594/4885
US-11155554-B2 Rigid chiral redox-active isosceles triangular materials GPX1, PRDX3, NQO1 DAO 1081/4885JAK2 3320/4885JAK1 4051/4885
US-20190077804-A1 RIGID CHIRAL REDOX-ACTIVE ISOSCELES TRIANGULAR MATERIALS GPX1, PRDX3, NQO1 DAO 1081/4885JAK2 3320/4885JAK1 4051/4885

“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.

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