SCHEMBL2984041

SCHEMBL2984041

C=CCCCc1ccc(C)cc1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.51
TLR8 Q9NR97 1/20 0.36
ERN1 O75460 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
PDE5A O76074 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR1E P28566 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR7 P34969 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL11561411 0.81 SRC (0.56) SRCERN1ALDH1A1KDM4EGAA
SCHEMBL2982847 0.80 ERN1 (0.47) ERN1ALDH1A1KDM4ECYP2A6LMNA
SCHEMBL12802432 0.80 TLR8 (0.40) TLR8ALDH1A1KDM4EGAAHTR1A
SCHEMBL13851929 0.78 SRC (0.59) SRCERN1ALDH1A1KDM4EGAA
SCHEMBL2968712 0.77 TLR8 (0.34) TLR8ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL12802144 0.76 TAAR1 (0.53) TLR8ALDH1A1KDM4EGAAHTR1A
SCHEMBL2970934 0.75 TAAR1 (0.41) TLR8HTR1AADRA2ADRD2ADRA2B
SCHEMBL13180289 0.75 SRC (0.65) SRCERN1ALDH1A1KDM4EGAA
SCHEMBL23009103 0.74 TLR8 (0.36) TLR8ALDH1A1HTR1AADRA2ADRD2
SCHEMBL9480836 0.73 SRC (0.47) SRCALDH1A1LMNA

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-7772221-B2 Diaminopropane derived macrocycles as inhibitors of β amyloid production BRISTOL-MEYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 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-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION APP, BACE1, BACE2 SRC 2717/4885TLR8 4878/4885ERN1 721/4885

“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.