SCHEMBL17865387

SCHEMBL17865387

CC(C)CNC(=O)c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.49
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HDAC4 P56524 1/20 0.45
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NAMPT P43490 1/20 0.43
ACACB O00763 1/20 0.43
ESRRG P62508 4/20 0.40
ESRRB O95718 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NR1H4 Q96RI1 2/20 0.40
EPHX2 P34913 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
P2RX3 P56373 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX12 P18054 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4741383 0.88 TDP1 (0.49) HPGDGAAKMT2AESRRGESRRB
SCHEMBL4254643 0.81 CYP4A11 (0.58) HPGDNPSR1KMT2AHSD17B10KDM4E
SCHEMBL4741957 0.78 ALDH1A1 (0.44) HPGDKMT2ANR1H4EPHX2P2RX3
SCHEMBL17361238 0.77 PPARG (0.36) GAAKMT2AESRRGESRRBKDM4E
SCHEMBL23066425 0.76 ESR1 (0.47) HPGDKMT2ANAMPTNPC1RAB9A
SCHEMBL17865390 0.75 MLYCD (0.58) MLYCDHPGDNPSR1HDAC4GAA
SCHEMBL8880528 0.74 ESR1 (0.37) HSD17B10ACACBEPHX2ALDH1A1
SCHEMBL17865783 0.74 MLYCD (0.73) MLYCDHPGDNPSR1HDAC4GAA
SCHEMBL24978922 0.74 MLYCD (0.56) MLYCDHPGDNPSR1HDAC4GAA
SCHEMBL8336912 0.74 MLYCD (0.60) MLYCDHPGDNPSR1HDAC4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10299475-B2 Pesticide ISHIHARA SANGYO KAISHA, LTD. (JP) 2019-05-28 US disclosed
US-20160192651-A1 PESTICIDE ISHIHARA SANGYO KAISHA, LTD. (JP) 2016-07-07 US disclosed
EP-3037408-A1 HARMFUL ORGANISM CONTROL AGENT Ishihara Sangyo Kaisha, Ltd. (JP) 2016-06-29 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-10299475-B2 Pesticide DDT, ACHE, KCNH1 MLYCD 2983/4885HPGD 4335/4885NPSR1 1003/4885
US-20160192651-A1 PESTICIDE DDT, ACHE, KCNH1 MLYCD 2983/4885HPGD 4335/4885NPSR1 1003/4885

“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.