SCHEMBL9999428

SCHEMBL9999428

c1cc(N(c2ccc(N(CC3CCCCC3)CC3CCCCC3)cc2)c2ccc(N(c3ccc(N(CC4CCCCC4)CC4CCCCC4)cc3)c3ccc(N(CC4CCCCC4)CC4CCCCC4)cc3)cc2)ccc1N(CC1CCCCC1)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.42
CNR1 P21554 2/20 0.42
RAB9A P51151 1/20 0.37
DAO P14920 1/20 0.36
OPRM1 P35372 5/20 0.35
OPRD1 P41143 5/20 0.35
OPRK1 P41145 5/20 0.35
ALOX5 P09917 2/20 0.34
AR P10275 1/20 0.34
PTGES O14684 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL15372959 0.84 CNR1 (0.52) CNR2CNR1RAB9ADAOMEN1
SCHEMBL21519659 0.84 RAB9A (0.41) CNR2CNR1RAB9AAR
SCHEMBL21519539 0.80 AR (0.42) CNR2CNR1ARKDM4EMEN1
SCHEMBL20684559 0.80 CNR2 (0.59) CNR2CNR1RAB9AKDM4EMEN1
SCHEMBL6873445 0.78 CNR2 (0.45) CNR2CNR1RAB9AOPRM1OPRD1
SCHEMBL10068874 0.77 CNR1 (0.36) CNR2CNR1DAOOPRM1OPRD1
SCHEMBL20871855 0.76 CNR1 (0.51) CNR2CNR1RAB9APTGESALDH1A1
SCHEMBL6881515 0.76 OPRM1 (0.43) CNR2CNR1OPRM1OPRD1OPRK1
SCHEMBL20871193 0.73 EPHX2 (0.45) CNR2CNR1RAB9APTGESKDM4E
SCHEMBL6881607 0.73 NR1H2 (0.43) CNR2CNR1OPRM1OPRD1OPRK1

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-20110315939-A1 NEAR INFRARED ABSORBENT DYE AND NEAR INFRARED SHIELDING FILTER JAPAN CARLIT CO., LTD. (JP) 2011-12-29 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-20110315939-A1 NEAR INFRARED ABSORBENT DYE AND NEAR INFRARED SHIELDING FILTER IK, TRPA1, SLC9A1 CNR2 3126/4885CNR1 2075/4885RAB9A 1238/4885

“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.