SCHEMBL19327342

SCHEMBL19327342

COc1cccc(C=Cc2ccc(OCCCN(C)C)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.70
MAOA P21397 4/20 0.70
RELA Q04206 1/20 0.63
CHRNA7 P36544 1/20 0.62
AHR P35869 1/20 0.56
NFE2L2 Q16236 1/20 0.55
CYP19A1 P11511 1/20 0.55
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP1B1 Q16678 1/20 0.52

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
SCHEMBL19327341 1.00 MAOB (0.70) MAOBMAOARELACHRNA7AHR
SCHEMBL19327348 0.87 MAOB (0.74) MAOBMAOACHRNA7AHR
SCHEMBL19327349 0.87 MAOB (0.74) MAOBMAOACHRNA7AHR
Hydrochloric Acid SCHEMBL9482931 0.85 MAOA (0.63) MAOBMAOARELACHRNA7AHR
Hydrochloric Acid SCHEMBL9482411 0.85 MAOA (0.70) MAOBMAOARELACHRNA7AHR
Hydrochloric Acid SCHEMBL9482938 0.85 MAOA (0.63) MAOBMAOARELACHRNA7AHR
Hydrochloric Acid SCHEMBL9482375 0.85 MAOA (0.70) MAOBMAOARELACHRNA7AHR
SCHEMBL9482377 0.85 RELA (0.69) MAOBMAOARELACHRNA7AHR
SCHEMBL9482387 0.85 RELA (0.69) MAOBMAOARELACHRNA7AHR
SCHEMBL19327357 0.84 BCHE (0.68) MAOBMAOARELACHRNA7CYP1A2

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 MAOB 3074/4885MAOA 3740/4885RELA 312/4885

“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.