SCHEMBL18883319

SCHEMBL18883319

CCCC[n+]1ccc(-c2cc[n+](CCC[N+](C)(C)C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPT P10636 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
KMT2A Q03164 1/20 0.62
HTT P42858 3/20 0.60
KDM4E B2RXH2 1/20 0.60
NPC1 O15118 1/20 0.60
LMNA P02545 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
DNM1 Q05193 6/20 0.41
ABCB11 O95342 1/20 0.39
ESR1 P03372 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL19946631 0.92 MEN1 (0.54) MEN1TP53CYP1A2CYP2D6MAPT
Hydrochloric Acid SCHEMBL29538521 0.90 MEN1 (0.52) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL3202302 0.85 KMT2A (0.82) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL19961816 0.85 MEN1 (0.47) MEN1TP53CYP1A2CYP2D6MAPT
Hydrochloric Acid SCHEMBL25240263 0.83 KMT2A (0.78) MEN1TP53CYP1A2CYP2D6MAPT
Bromide SCHEMBL8748216 0.83 KMT2A (0.78) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL25525834 0.80 TP53 (0.41) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL3215924 0.79 KMT2A (0.72) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL3212665 0.79 KMT2A (0.95) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL25525855 0.79 MEN1 (0.42) MEN1TP53CYP1A2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072669-A1 MATERIALS FOR USE IN AN AQUEOUS ORGANIC REDOX FLOW BATTERY UTAH STATE UNIVERSITY (US) 2018-03-15 US disclosed
US-20170146880-A1 PROTIC-SOLUBLE ORGANIC ELECTROCHROMIC COMPOUNDS GENTEX CORPORATION 2017-05-25 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 (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-20170146880-A1 PROTIC-SOLUBLE ORGANIC ELECTROCHROMIC COMPOUNDS EED, EMC2, IWS1 MEN1 2180/4885TP53 382/4885CYP1A2 3588/4885
US-20180072669-A1 MATERIALS FOR USE IN AN AQUEOUS ORGANIC REDOX FLOW BATTERY GPX1, SOD1, MPO MEN1 2995/4885TP53 498/4885CYP1A2 461/4885

“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.