SCHEMBL23913517

SCHEMBL23913517

CC(C)(C)CCC(=O)N1CCCCN1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CA2 P00918 1/20 0.32
CHKA P35790 1/20 0.32
DPP4 P27487 1/20 0.32
GAA P10253 1/20 0.31
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 1/20 0.31
TPSG1 Q9NRR2 1/20 0.31
ATM Q13315 1/20 0.31
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL18361923 0.76 MMP3 (0.42) MMP3SIGMAR1CA2CHKADPP4
SCHEMBL28559986 0.75 L3MBTL1 (0.56) GNAI3GNAO1GNAI1L3MBTL1
SCHEMBL27632523 0.74 MMP3 (0.41) MMP3SIGMAR1CA2CHKADPP4
SCHEMBL12857664 0.74 GAA (0.49) SIGMAR1CA2CHKAGAATPSAB1
SCHEMBL13839275 0.74 ATM (0.58) ATML3MBTL1
SCHEMBL29187447 0.72 L3MBTL1 (0.47) MMP3CA2CHKADPP4ATM
SCHEMBL2739384 0.72 ATM (0.56) GAAATML3MBTL1
Hydrochloric Acid SCHEMBL3426989 0.71 MMP3 (0.43) MMP3SIGMAR1DPP4CHRM5CHRM3
SCHEMBL19169730 0.70 ATM (0.52) ATML3MBTL1
SCHEMBL20197951 0.69

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-20210317089-A1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2021-10-14 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-20210317089-A1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINES DDT, DPYD, GSTP1 MMP3 3157/4885SIGMAR1 2388/4885CA2 1201/4885

“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.