SCHEMBL6014765

SCHEMBL6014765

[CH2]c1ccc(OCc2ccc(OC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.67
MAOB P27338 1/20 0.65
NPC1 O15118 1/20 0.59
POLB P06746 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
FFAR1 O14842 2/20 0.56
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
IDO1 P14902 2/20 0.53
AGXT P21549 2/20 0.53
PLA2G4B P0C869 1/20 0.51
MEN1 O00255 1/20 0.50
BCHE P06276 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL6292403 1.00 APP (0.67) APPMAOBNPC1POLBRAB9A
SCHEMBL20000873 0.89 APP (0.80) APPMAOBNPC1POLBRAB9A
SCHEMBL8599573 0.84 RXRA (0.59) APPMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL466371 0.84 MAOB (0.59) APPMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL18475585 0.82 APP (0.69) APPMAOBNPC1POLBRAB9A
SCHEMBL13977985 0.82 APP (0.69) APPMAOBNPC1POLBRAB9A
SCHEMBL553770 0.82 APP (0.69) APPMAOBNPC1POLBRAB9A
SCHEMBL171857 0.82 APP (0.69) APPMAOBNPC1POLBRAB9A
SCHEMBL13952163 0.82 APP (0.69) APPMAOBNPC1POLBRAB9A
SCHEMBL13424151 0.82 APP (0.69) APPMAOBNPC1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998946-A1 Non-porphyrin compound for use as a diagnosticum and/or pharmaceutical K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-05-10 EP claimed
WO-2000009169-A1 NON-PORPHYRIN COMPOUND FOR USE AS A DIAGNOSTICUM AND/OR PHARMACEUTICAL K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-02-24 WO claimed
US-7081472-B2 Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them K. U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2006-07-25 US disclosed
US-20040053911-A1 Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-03-18 US disclosed
EP-1343758-A1 SUBSTITUTED BIS-INDOLE DERIVATIVES USEFUL AS CONTRAST AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES FOR PRODUCING THEM K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2003-09-17 EP disclosed
WO-2002038546-A1 SUBSTITUTED BIS-INDOLE DERIVATIVES USEFUL AS CONTRAST AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES FOR PRODUCING THEM K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2002-05-16 WO 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-20040053911-A1 Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them IDO1, IDO2, CNR1 APP 3221/4885MAOB 59/4885NPC1 853/4885

“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.