SCHEMBL16705724

SCHEMBL16705724

CC(C)(C)c1ccc2c(ccn2CCN2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 11/20 0.54
▸ SIGMAR1 Q99720 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ NOS3 P29474 1/20 0.46
▸ NOS1 P29475 1/20 0.46
▸ NOS2 P35228 1/20 0.46
▸ ESRRG P62508 2/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ RECQL P46063 1/20 0.44

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
SCHEMBL14093209 0.99 HTR7 (0.55) HTR7SIGMAR1KDM4ENOS3NOS1
SCHEMBL14093214 0.89 HTR7 (0.61) HTR7HRH3
SCHEMBL14093212 0.88 SIGMAR1 (0.50) HTR7SIGMAR1NOS3NOS1NOS2
SCHEMBL16705820 0.81 HTR7 (0.63) HTR7NOS3NOS1NOS2ESRRG
SCHEMBL22743123 0.80 HTR7 (0.51) HTR7NOS3NOS1NOS2ESRRG
SCHEMBL21671816 0.80 HTR7 (0.64) HTR7NOS3NOS1NOS2ESRRG
SCHEMBL23927836 0.79 HTR7 (0.67) HTR7KDM4EHRH3
SCHEMBL22742672 0.78 HTR7 (0.52) HTR7NOS3NOS1NOS2ESRRG
SCHEMBL23927863 0.78 HTR7 (0.61) HTR7NOS3NOS1NOS2ESRRG
SCHEMBL4263907 0.78 HTR7 (0.54) HTR7NOS3NOS1NOS2ESRRG

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-9394268-B2 (E)-1-(5-methoxy-2,2-dimethyl-2H-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one and analogs thereof, as well as preparation method and use thereof SICHUAN UNIVERSITY (CN) 2016-07-19 — — US disclosed
US-20150133659-A1 (E)-1-(5-METHOXY-2,2-DIMETHYL-2H-CHROMEN-8-YL)-3-(4-METHOXYPHENYL)PROP-2-EN-1-ONE AND ANALOGS THEREOF, AS WELL AS PREPARATION METHOD AND USE THEREOF SICHUAN UNIVERSITY (CN) 2015-05-14 — — 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-20150133659-A1 (E)-1-(5-METHOXY-2,2-DIMETHYL-2H-CHROMEN-8-YL)-3-(4-METHOXYPHENYL)PROP-2-EN-1-ONE AND ANALOGS THEREOF, AS WELL AS PREPARATION METHOD AND USE THEREOF ECE1, CMA1, MME HTR7 246/4885SIGMAR1 1058/4885KDM4E 86/4885

“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.

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