SCHEMBL354256

SCHEMBL354256

CCCCCCN(CCCCCC)c1ccc(-c2ccc(-c3cc[n+](C)cc3)s2)cc1.CCCCCCN(CCCCCC)c1ccc(-c2ccc(-c3cc[n+](C)cc3)s2)cc1.CCCCCCN(CCCCCC)c1ccc(-c2ccc(-c3cc[n+](C)cc3)s2)cc1.CCCCCCN(CCCCCC)c1ccc(-c2ccc(-c3cc[n+](C)cc3)s2)cc1.CCCCCCN(CCCCCC)c1ccc(-c2ccc(-c3cc[n+](C)cc3)s2)cc1.CCCCCCN(CCCCCC)c1ccc(-c2ccc(-c3cc[n+](C)cc3)s2)cc1.CCCCCCN(CCCCCC)c1ccc(-c2ccc(-c3cc[n+](C)cc3)s2)cc1.CCCCCCN(CCCCCC)c1ccc(-c2ccc(-c3cc[n+](C)cc3)s2)cc1.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 1/20 0.33
▸ APP P05067 2/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CHRM2 P08172 1/20 0.30
▸ CHRM4 P08173 1/20 0.30
▸ CHRM5 P08912 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
Iodide SCHEMBL352068 0.91 KDM4E (0.37) INSRAPPCNR2MEN1TP53
SCHEMBL354255 0.90 INSR (0.34) INSRAPPCNR2MEN1TP53
SCHEMBL352115 0.87 CNR2 (0.36) INSRCNR2
Trifluoromethanesulfonic Acid SCHEMBL353958 0.85 KCNH2 (0.45) CNR2
SCHEMBL353190 0.82 CNR2 (0.43) CNR2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL10031417 0.80 INSR (0.38) INSRAPPCNR2NPC1RAB9A
SCHEMBL16503876 0.76 INSR (0.38) INSRAPPMEN1TP53CYP1A2
SCHEMBL353810 0.76 PRKCI (0.40) INSRAPPCYP2D6MAPTKDM4E
SCHEMBL356229 0.76 PRKCI (0.40) INSRAPPCYP2D6MAPTKDM4E
Iodide SCHEMBL352942 0.75 HTT (0.38) INSRAPPMEN1TP53CYP1A2

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-20120015399-A1 FLUORESCENT SOLVATOCHROMIC PIGMENT NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-01-19 — — 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-20120015399-A1 FLUORESCENT SOLVATOCHROMIC PIGMENT ANXA5, TRPV5, TRPC5 INSR 4089/4885APP 3819/4885CNR2 2082/4885

“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.

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