SCHEMBL19327367

SCHEMBL19327367

CNCCCOc1ccc(C=Cc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.71
HTR1D P28221 1/20 0.62
CHRNA7 P36544 9/20 0.59
CHRNA10 Q9GZZ6 5/20 0.59
CHRNA9 Q9UGM1 5/20 0.59
CHRNB4 P30926 3/20 0.59
CHRNA3 P32297 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
RELA Q04206 1/20 0.59
PPARA Q07869 2/20 0.56
MAPT P10636 1/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL19327366 1.00 HTR1B (0.71) HTR1BHTR1DCHRNA7CHRNA10CHRNA9
SCHEMBL19353545 0.84 NFE2L2 (0.58) HTR1BRELA
SCHEMBL1109801 0.84 HTR1B (1.00) HTR1BHTR1DL3MBTL1KDM4EMEN1
SCHEMBL19353611 0.83 NFE2L2 (0.55) HTR1BHTR1DL3MBTL1CYP1A2
SCHEMBL5741015 0.82 RELA (0.72) CHRNA7CHRNA10CHRNA9CHRNB4CHRNA3
SCHEMBL1618632 0.82 RELA (0.72) CHRNA7CHRNA10CHRNA9CHRNB4CHRNA3
SCHEMBL13886634 0.81 HTR1B (0.85) HTR1BHTR1DL3MBTL1KDM4EMEN1
SCHEMBL24133448 0.80 APP (0.74) HTR1BCHRNA7CHRNA10CHRNA9L3MBTL1
SCHEMBL17609108 0.79 CHRNA7 (0.63) CHRNA7CHRNA10CHRNA9CHRNB4CHRNA3
SCHEMBL1470314 0.79 ALDH1A1 (0.60) HTR1BHTR1DL3MBTL1MAPTKDM4E

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-20170260126-A1 SQUALENE COMPOUNDS AS MODULATORS OF LDL-RECEPTOR EXPRESSION UNIV OXFORD INNOVATION LTD (GB) 2017-09-14 US claimed
US-20170260126-A1 SQUALENE COMPOUNDS AS MODULATORS OF LDL-RECEPTOR EXPRESSION UNIV OXFORD INNOVATION LTD (GB) 2017-09-14 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-20170260126-A1 SQUALENE COMPOUNDS AS MODULATORS OF LDL-RECEPTOR EXPRESSION LDLR, NR1H2, SREBF1 HTR1B 1308/4885HTR1D 1400/4885CHRNA7 1175/4885

“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.