SCHEMBL15537810

SCHEMBL15537810

CCCCN(CCCC)CCCOc1ccc(C(=O)N(C)OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 2/20 0.59
▸ THRB P10828 2/20 0.59
▸ BCHE P06276 6/20 0.58
▸ ACHE P22303 4/20 0.54
▸ LMNA P02545 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ SCN1A P35498 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ SCN2A Q99250 1/20 0.48
▸ SCN3A Q9NY46 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48

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
SCHEMBL13221522 0.92 TSHR (0.55) THRATHRBTP53TSHR
SCHEMBL6539277 0.89 TP53 (0.60) THRATHRBTP53TSHR
SCHEMBL15535898 0.87 THRA (0.63) THRATHRBBCHEACHELMNA
SCHEMBL15536155 0.83 THRA (0.61) THRATHRBBCHEACHELMNA
SCHEMBL8477806 0.83 MCHR1 (0.57) BCHEACHELMNACHRM2HTR1A
SCHEMBL2472562 0.82 MAPT (0.66) THRATHRBBCHEACHELMNA
SCHEMBL434056 0.81 L3MBTL1 (0.67) THRATHRBBCHEACHELMNA
SCHEMBL2472164 0.81 TP53 (0.71) THRATHRBBCHEACHETP53
SCHEMBL1984870 0.81 DRD2 (0.56) THRATHRBBCHEACHECYP1A2
Hydrochloric Acid SCHEMBL3853408 0.80 TP53 (0.69) THRATHRBBCHEACHETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238636-B2 Process for preparation of dronedarone by Grignard reaction SANOFI (FR) 2016-01-19 — — US disclosed
US-20150274688-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY GRIGNARD REACTION SANOFI (FR) 2015-10-01 — — US disclosed
WO-2013178337-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY GRIGNARD REACTION SANOFI (FR) 2013-12-05 — — 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-20150274688-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY GRIGNARD REACTION CYP3A4, CYP2C9, CYP4B1 THRA 4251/4885THRB 4438/4885BCHE 2659/4885

“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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