SCHEMBL23031982

SCHEMBL23031982

CCCCCN(CCCCC)C(=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA9 Q16790 3/20 0.45
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
ZDHHC20 Q5W0Z9 2/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
MGLL Q99685 1/20 0.39
CES2 O00748 4/20 0.37
CES1 P23141 4/20 0.37
DNM1 Q05193 3/20 0.37
AKR1B1 P15121 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ALDH2 P05091 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
SCHEMBL20349292 0.98 CA12 (0.47) CA12CA1CA9CA2MMP1
SCHEMBL11704187 0.98 CA12 (0.47) CA12CA1CA9CA2MMP1
SCHEMBL18384478 0.93 CA1 (0.52) CA12CA1CA9CA2MMP1
SCHEMBL13223502 0.92 CA12 (0.39) CA12CA1CA9CA2MMP1
SCHEMBL20053673 0.91 CA12 (0.48) CA12CA1CA9CA2MMP1
SCHEMBL20349290 0.90 CA12 (0.41) CA12CA1CA9CA2MMP1
SCHEMBL20349287 0.90 LMNA (0.43) CA12CA1CA9CA2MMP1
SCHEMBL24288442 0.90 CA12 (0.41) CA12CA1CA9CA2MMP1
SCHEMBL24288441 0.90 LMNA (0.43) CA12CA1CA9CA2MMP1
SCHEMBL25096325 0.89 CA12 (0.48) CA12CA1CA9CA2MMP1

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-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-02-25 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-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF TACR1, TACR2, GPBAR1 CA12 2736/4885CA1 3025/4885CA9 1193/4885

“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.