SCHEMBL25821008

SCHEMBL25821008

CC(C)(C)OC(=O)Nc1ccc(OCc2cc([N+](=O)[O-])ccc2OC2CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
MMP13 P45452 2/20 0.44
CYP19A1 P11511 4/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PTGES O14684 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
PTGS1 P23219 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
SMN1; SMN2 Q16637 1/20 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
SCHEMBL25820979 0.91 ALDH1A1 (0.41) MMP1MMP2MMP9MMP8MMP13
SCHEMBL24072521 0.85 MAPT (0.39) MAPTTSHRPOLBPDE4BADAMTS4
SCHEMBL25820980 0.82 MAPT (0.49) MMP1MMP2MMP9MMP8MMP13
SCHEMBL29225976 0.78 KMT2A (0.54) CYP19A1MAPTMEN1KMT2AALDH1A1
SCHEMBL24072449 0.76 ACACB (0.39) MAPTTSHRPDE4BADAMTS4
SCHEMBL24072457 0.75 KAT2B (0.38) TSHRPOLBNPC1RAB9APDE4B
SCHEMBL1532248 0.73 KMT2A (0.59) MMP1MMP2MMP9MMP8MMP13
SCHEMBL31130990 0.72 MEN1 (0.40) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL24072453 0.72 PDE4D (0.35) MAPTTSHRPDE4B
SCHEMBL28844748 0.72 KMT2A (0.73) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203059-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF BIOPOLAR HONGYE (NANTONG) PHARMACEUTICAL CO. LTD. (CN) 2023-06-29 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 (1 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-20230203059-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF JAK3, JAK2, JAK1 MMP1 2264/4885MMP2 2205/4885MMP9 672/4885

“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.