SCHEMBL9936384

SCHEMBL9936384

C[N+]1(CC[N+]2(C)CCCC2)CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
BBOX1 O75936 2/20 0.50
TP53 P04637 1/20 0.40
CHRNA7 P36544 5/20 0.39
LMNA P02545 4/20 0.39
KMT2A Q03164 2/20 0.39
APOBEC3A P31941 2/20 0.39
APOBEC3G Q9HC16 2/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 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
SCHEMBL6767920 0.96 KDM4E (0.59) KDM4EBBOX1TP53CHRNA7LMNA
SCHEMBL2397482 0.86 BBOX1 (0.58) KDM4EBBOX1TP53CHRNA7LMNA
SCHEMBL812356 0.86 BBOX1 (0.58) KDM4EBBOX1TP53CHRNA7LMNA
SCHEMBL7166850 0.83 BBOX1 (0.56) KDM4EBBOX1TP53CHRNA7LMNA
Bromide SCHEMBL7628516 0.83 BBOX1 (0.56) KDM4EBBOX1TP53CHRNA7LMNA
Water SCHEMBL20472801 0.83 BBOX1 (0.56) KDM4EBBOX1TP53CHRNA7LMNA
SCHEMBL12638424 0.83 BBOX1 (0.56) KDM4EBBOX1TP53CHRNA7LMNA
Bromide SCHEMBL8910745 0.83 BBOX1 (0.56) KDM4EBBOX1TP53CHRNA7LMNA
SCHEMBL7593954 0.83 BBOX1 (0.56) KDM4EBBOX1TP53CHRNA7LMNA
SCHEMBL2158184 0.83 BBOX1 (0.56) KDM4EBBOX1TP53CHRNA7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183489-A1 COLORING COMPOSITION, INK JET RECORDING METHOD, IMAGE RECORDED MATERIAL, AND COLORING AGENT COMPOUND FUJIFILM CORPORATION (JP) 2023-06-15 US disclosed
US-20230183489-A1 COLORING COMPOSITION, INK JET RECORDING METHOD, IMAGE RECORDED MATERIAL, AND COLORING AGENT COMPOUND FUJIFILM CORPORATION (JP) 2023-06-15 US disclosed
US-8546609-B2 Ionic liquid containing allylsulfonate anion WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
EP-2474527-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION Wako Pure Chemical Industries, Ltd. (JP) 2012-07-11 EP disclosed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 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-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION ATXN2L, ARL1, INPPL1 KDM4E 4681/4885BBOX1 4837/4885TP53 3461/4885

“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.