SCHEMBL4394841

SCHEMBL4394841

CCCCCCCCn1ccc2cc(OBr)ccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
CDK4 P11802 2/20 0.45
CCND1 P24385 2/20 0.45
PLA2G4A P47712 4/20 0.44
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
HTR2C P28335 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
ADA P00813 1/20 0.42
MCL1 Q07820 1/20 0.41
SPHK2 Q9NRA0 2/20 0.40
CNR2 P34972 1/20 0.39
SCN9A Q15858 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
SCHEMBL4394974 1.00 MTNR1A (0.45) MTNR1AMTNR1BCDK4CCND1PLA2G4A
SCHEMBL4403967 0.99 MTNR1A (0.46) MTNR1AMTNR1BCDK4CCND1PLA2G4A
SCHEMBL4404096 0.94 MTNR1A (0.47) MTNR1AMTNR1BCDK4CCND1PLA2G4A
SCHEMBL4394621 0.88 MTNR1A (0.56) MTNR1AMTNR1BCDK4CCND1PLA2G4A
SCHEMBL4393136 0.88 MTNR1A (0.49) MTNR1AMTNR1BCDK4CCND1HTR2C
SCHEMBL18856948 0.87 MTNR1A (0.58) MTNR1AMTNR1BCDK4CCND1PLG
SCHEMBL10413240 0.82 MTNR1A (0.59) MTNR1AMTNR1BPLGPLAUHTR2C
SCHEMBL4401260 0.82 KDM4E (0.53) MTNR1AMTNR1BHTR2CKDM4EMEN1
SCHEMBL22930065 0.81 HTR2A (0.54) CDK4CCND1PLGPLAUHTR2C
SCHEMBL15550237 0.81 HTR2A (0.54) CDK4CCND1PLGPLAUHTR2C

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-7632954-B2 Sym-N-(n-hexyl)-5-bromotriindole; Sym-N-(n-hexyl)-5-phenyltriindole; Sym-N-(n-hexyl)-[2-cyano-2-(4-pyridyl)vinyl]triindole; electrification preventions, electrification controls, capacitors, batteries, chemical sensors, displays, organic EL materials, solar cells, photodiodes, phototransistors; fibers IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-12-15 US disclosed
US-20070191455-A1 Substituted sym-triindole IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-16 US disclosed
EP-1717239-A1 SUBSTITUTED SYM-TRIINDOLE Ihara Chemical Industry Co., Ltd. (JP) 2006-11-02 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 (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-20070191455-A1 Substituted sym-triindole RTF1, ETF1, RTF2 MTNR1A 657/4885MTNR1B 2753/4885CDK4 1159/4885

“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.